(S)-3-(Tert-butyl)-4-(2,6-dimethoxy-3,5-dimethylphenyl)2,3-dihydrobenzo[d][1,3]oxaphosphole

Catalog Number	ACM2021202037
CAS	2021202-03-7
Structure
Synonyms	(3S)-3-Tert-butyl-4-(2,6-dimethoxy-3,5-dimethylphenyl)-2H-1,3-benzoxaphosphole; (3S)-3beta-Tert-Butyl-4-(2,6-Dimethoxy-3,5-Dimethylphenyl)-2,3-Dihydro-1,3-Benzooxaphosphole
IUPAC Name	(3S)-3-tert-butyl-4-(2,6-dimethoxy-3,5-dimethylphenyl)-2H-1,3-benzoxaphosphole
Molecular Weight	358.17
Molecular Formula	C21H27O3P
InChI	HEETVIXTAXQITH-RUZDIDTESA-N
InChI Key	InChI=1S/C21H27O3P/c1-13-11-14(2)19(23-7)17(18(13)22-6)15-9-8-10-16-20(15)25(12-24-16)21(3,4)5/h8-11H,12H2,1-7H3/t25-/m1/s1
Purity	97%
Appearance	Solid
Isomeric SMILES	CC1=CC(=C(C(=C1OC)C2=C3C(=CC=C2)OC[P@]3C(C)(C)C)OC)C

Q&A

What is the IUPAC name of (S)-3-(Tert-butyl)-4-(2,6-dimethoxy-3,5-dimethylphenyl)2,3-dihydrobenzo[d][1,3]oxaphosphole depicted?

(3S)-3-tert-butyl-4-(2,6-dimethoxy-3,5-dimethylphenyl)-2H-1,3-benzoxaphosphole

What is the molecular formula of (S)-3-(Tert-butyl)-4-(2,6-dimethoxy-3,5-dimethylphenyl)2,3-dihydrobenzo[d][1,3]oxaphosphole?

C21H27O3P

What is the molecular weight of (S)-3-(Tert-butyl)-4-(2,6-dimethoxy-3,5-dimethylphenyl)2,3-dihydrobenzo[d][1,3]oxaphosphole?

358.4 g/mol

What is the monoisotopic mass of (S)-3-(Tert-butyl)-4-(2,6-dimethoxy-3,5-dimethylphenyl)2,3-dihydrobenzo[d][1,3]oxaphosphole?

358.16978172

How many heavy atoms are present in (S)-3-(Tert-butyl)-4-(2,6-dimethoxy-3,5-dimethylphenyl)2,3-dihydrobenzo[d][1,3]oxaphosphole?

25

How many hydrogen bond acceptors are present in (S)-3-(Tert-butyl)-4-(2,6-dimethoxy-3,5-dimethylphenyl)2,3-dihydrobenzo[d][1,3]oxaphosphole?

3

How many rotatable bonds are present in (S)-3-(Tert-butyl)-4-(2,6-dimethoxy-3,5-dimethylphenyl)2,3-dihydrobenzo[d][1,3]oxaphosphole?

4

What is the XLogP3 value of (S)-3-(Tert-butyl)-4-(2,6-dimethoxy-3,5-dimethylphenyl)2,3-dihydrobenzo[d][1,3]oxaphosphole?

4.6

What is the canonical SMILES representation of (S)-3-(Tert-butyl)-4-(2,6-dimethoxy-3,5-dimethylphenyl)2,3-dihydrobenzo[d][1,3]oxaphosphole?

CC1=CC(=C(C(=C1OC)C2=C3C(=CC=C2)OCP3C(C)(C)C)OC)C

What is the InChIKey of (S)-3-(Tert-butyl)-4-(2,6-dimethoxy-3,5-dimethylphenyl)2,3-dihydrobenzo[d][1,3]oxaphosphole?

HEETVIXTAXQITH-RUZDIDTESA-N