(1R,4S)-2-(benzenesulfonyl)-4-(2-methoxyphenyl)cyclohex-2-en-1-ol

C19H20O4S — CID 101142433

IUPAC(1R,4S)-2-(benzenesulfonyl)-4-(2-methoxyphenyl)cyclohex-2-en-1-ol
SMILESCOc1ccccc1[C@@H]1C=C(S(=O)(=O)c2ccccc2)[C@H](O)CC1
InChIInChI=1S/C19H20O4S/c1-23-18-10-6-5-9-16(18)14-11-12-17(20)19(13-14)24(21,22)15-7-3-2-4-8-15/h2-10,13-14,17,20H,11-12H2,1H3/t14-,17+/m0/s1
InChIKeyPTOUXPJNPCLHSJ-WMLDXEAASA-N
MW344.43 g/mol
LogP3.29
Rot. Bonds4

About (1R,4S)-2-(benzenesulfonyl)-4-(2-methoxyphenyl)cyclohex-2-en-1-ol

(1R,4S)-2-(benzenesulfonyl)-4-(2-methoxyphenyl)cyclohex-2-en-1-ol (PubChem CID 101142433) has the molecular formula C19H20O4S and a molecular weight of 344.43 g/mol. Its IUPAC name is (1R,4S)-2-(benzenesulfonyl)-4-(2-methoxyphenyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,4S)-2-(benzenesulfonyl)-4-(2-methoxyphenyl)cyclohex-2-en-1-ol
PubChem CID101142433
Molecular FormulaC19H20O4S
Molecular Weight344.43 g/mol
Exact Mass344.11
IUPAC Name(1R,4S)-2-(benzenesulfonyl)-4-(2-methoxyphenyl)cyclohex-2-en-1-ol
SMILESCOc1ccccc1[C@@H]1C=C(S(=O)(=O)c2ccccc2)[C@H](O)CC1
InChIInChI=1S/C19H20O4S/c1-23-18-10-6-5-9-16(18)14-11-12-17(20)19(13-14)24(21,22)15-7-3-2-4-8-15/h2-10,13-14,17,20H,11-12H2,1H3/t14-,17+/m0/s1
InChIKeyPTOUXPJNPCLHSJ-WMLDXEAASA-N
XLogP3.29
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,4R)-2-(benzenesulfonyl)-4-fluorocyclohex-2-en-1-ol
CID 11807281
1-[(1R)-cyclopent-2-en-1-yl]-2-methoxybenzene
CID 2327236
(1Z)-3-(2-methoxyphenyl)cyclooctene
CID 144754683
2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 4593530
7-(benzenesulfonyl)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene
CID 102056354
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798
3-(benzenesulfonyl)-2-methyl-5-phenylsulfanylcyclohept-3-en-1-ol
CID 121278390
dimethyl (1R,4S,5S,7R)-5-hydroxy-7-(2-methoxyphenyl)cycloheptane-1,4-dicarboxylate
CID 15761619
3-(2-methoxyphenyl)cyclopentan-1-ol
CID 64516267
(3R)-2-(benzenesulfonyl)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole
CID 7120948
2-(benzenesulfonyl)-5-(2-chlorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole
CID 86807968
benzene;benzenesulfonylbenzene;ethane;methoxymethane
CID 158977372

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-2-(benzenesulfonyl)-4-(2-methoxyphenyl)cyclohex-2-en-1-ol?
The IUPAC name of (1R,4S)-2-(benzenesulfonyl)-4-(2-methoxyphenyl)cyclohex-2-en-1-ol (CID 101142433) is (1R,4S)-2-(benzenesulfonyl)-4-(2-methoxyphenyl)cyclohex-2-en-1-ol.
What is the SMILES notation for (1R,4S)-2-(benzenesulfonyl)-4-(2-methoxyphenyl)cyclohex-2-en-1-ol?
The canonical SMILES for (1R,4S)-2-(benzenesulfonyl)-4-(2-methoxyphenyl)cyclohex-2-en-1-ol is COc1ccccc1[C@@H]1C=C(S(=O)(=O)c2ccccc2)[C@H](O)CC1.
What is the InChIKey of (1R,4S)-2-(benzenesulfonyl)-4-(2-methoxyphenyl)cyclohex-2-en-1-ol?
The InChIKey is PTOUXPJNPCLHSJ-WMLDXEAASA-N. The full InChI is InChI=1S/C19H20O4S/c1-23-18-10-6-5-9-16(18)14-11-12-17(20)19(13-14)24(21,22)15-7-3-2-4-8-15/h2-10,13-14,17,20H,11-12H2,1H3/t14-,17+/m0/s1.
What are the key properties of (1R,4S)-2-(benzenesulfonyl)-4-(2-methoxyphenyl)cyclohex-2-en-1-ol?
(1R,4S)-2-(benzenesulfonyl)-4-(2-methoxyphenyl)cyclohex-2-en-1-ol has a molecular weight of 344.43 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-2-(benzenesulfonyl)-4-(2-methoxyphenyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 101142433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).