(S)-3-(Tert-butyl)-4-(2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole

Catalog Number	ACM1373432097
CAS	1373432-09-7
Structure
Synonyms	(S)-4-(2,6-Dimethoxyphenyl)-3-(tert-butyl)-2,3-dihydro-1,3-benzoxaphosphole
IUPAC Name	(3S)-3-tert-butyl-4-(2,6-dimethoxyphenyl)-2H-1,3-benzoxaphosphole
Molecular Weight	330.36
Molecular Formula	C19H23O3P
InChI	BWPDUHMFZCEKIP-HSZRJFAPSA-N
InChI Key	InChI=1S/C19H23O3P/c1-19(2,3)23-12-22-16-11-6-8-13(18(16)23)17-14(20-4)9-7-10-15(17)21-5/h6-11H,12H2,1-5H3/t23-/m1/s1
Boiling Point	422.1±45.0 °C(Predicted)
Purity	97%
Appearance	Solid
Isomeric SMILES	CC(C)(C)[P@@]1COC2=CC=CC(=C21)C3=C(C=CC=C3OC)OC

Q&A

What is the molecular formula of (S)-3-(Tert-butyl)-4-(2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole referred to?

The molecular formula is C19H23O3P.

What is the exact mass of (S)-3-(Tert-butyl)-4-(2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

The exact mass is 330.13848159.

What is the canonical SMILES representation of (S)-3-(Tert-butyl)-4-(2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

CC(C)(C)P1COC2=CC=CC(=C21)C3=C(C=CC=C3OC)OC.

How many hydrogen bond acceptors does (S)-3-(Tert-butyl)-4-(2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole have?

The compound has 3 hydrogen bond acceptors.

What is the XLogP3 value of (S)-3-(Tert-butyl)-4-(2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

The XLogP3 value is 3.9.

What is the IUPAC name of (S)-3-(Tert-butyl)-4-(2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

The IUPAC name is 3-tert-butyl-4-(2,6-dimethoxyphenyl)-2H-1,3-benzoxaphosphole.

How many heavy atoms does (S)-3-(Tert-butyl)-4-(2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole contain?

The compound contains 23 heavy atoms.

What is the Depositor-Supplied Synonym of (S)-3-(Tert-butyl)-4-(2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole with the CAS number 1246888-90-3?

The Depositor-Supplied Synonym is (S)-3-(Tert-butyl)-4-(2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole.

What is the formal charge of (S)-3-(Tert-butyl)-4-(2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

The formal charge is 0.

What is the InChIKey of (S)-3-(Tert-butyl)-4-(2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

The InChIKey is BWPDUHMFZCEKIP-UHFFFAOYSA-N.