(2S,3S)-3-(Tert-Butyl)-2-isopropyl-4-(2-methoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole

Catalog Number	ACM2565792336
CAS	2565792-33-6
IUPAC Name	(2S,3S)-3-tert-butyl-4-(2-methoxyphenyl)-2-propan-2-yl-2H-1,3-benzoxaphosphole
Molecular Weight	342.41
Molecular Formula	C21H27O2P
InChI	AXYSTPMEONMQAD-RDPSFJRHSA-N
InChI Key	InChI=1S/C21H27O2P/c1-14(2)20-23-18-13-9-11-16(19(18)24(20)21(3,4)5)15-10-7-8-12-17(15)22-6/h7-14,20H,1-6H3/t20-,24-/m0/s1
Purity	95%+
Isomeric SMILES	CC(C)[C@H]1OC2=CC=CC(=C2[P@@]1C(C)(C)C)C3=CC=CC=C3OC

Q&A

What is the molecular formula of (2S,3S)-3-(Tert-Butyl)-2-isopropyl-4-(2-methoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

The molecular formula is C21H27O2P.

What is the exact mass of (2S,3S)-3-(Tert-Butyl)-2-isopropyl-4-(2-methoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

The exact mass is 342.17486710.

What is the IUPAC name of (2S,3S)-3-(Tert-Butyl)-2-isopropyl-4-(2-methoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

The IUPAC name is (2S,3S)-3-tert-butyl-4-(2-methoxyphenyl)-2-propan-2-yl-2H-1,3-benzoxaphosphole.

How many heavy atoms are present in (2S,3S)-3-(Tert-Butyl)-2-isopropyl-4-(2-methoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

There are 24 heavy atoms in (2S,3S)-3-(Tert-Butyl)-2-isopropyl-4-(2-methoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole.

What is the canonical SMILES representation of (2S,3S)-3-(Tert-Butyl)-2-isopropyl-4-(2-methoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

CC(C)C1OC2=CC=CC(=C2P1C(C)(C)C)C3=CC=CC=C3OC

What is the XLogP3 value of (2S,3S)-3-(Tert-Butyl)-2-isopropyl-4-(2-methoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

The XLogP3 value is 5.3.

Are there any defined atom stereocenters in (2S,3S)-3-(Tert-Butyl)-2-isopropyl-4-(2-methoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

Yes, there are 2 defined atom stereocenters.

What is the topological polar surface area of (2S,3S)-3-(Tert-Butyl)-2-isopropyl-4-(2-methoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

The topological polar surface area is 18.5.

What are some depositor-supplied synonyms for (2S,3S)-3-(Tert-Butyl)-2-isopropyl-4-(2-methoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

Some synonyms include (2S,3S)-3-tert-butyl-4-(2-methoxyphenyl)-2-propan-2-yl-2H-1,3-benzoxaphosphole, CS-0092311, E75012, and MFCD32641179.

What is the InChIKey of (2S,3S)-3-(Tert-Butyl)-2-isopropyl-4-(2-methoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

The InChIKey is AXYSTPMEONMQAD-RDPSFJRHSA-N.