2-[(S)-(4-methylphenyl)sulfonyl-phenylmethyl]phenol

C20H18O3S — CID 177473349

IUPAC2-[(S)-(4-methylphenyl)sulfonyl-phenylmethyl]phenol
SMILESCc1ccc(S(=O)(=O)[C@@H](c2ccccc2)c2ccccc2O)cc1
InChIInChI=1S/C20H18O3S/c1-15-11-13-17(14-12-15)24(22,23)20(16-7-3-2-4-8-16)18-9-5-6-10-19(18)21/h2-14,20-21H,1H3/t20-/m0/s1
InChIKeyVBBXYOIXIJUYNM-FQEVSTJZSA-N
MW338.43 g/mol
LogP4.26
Rot. Bonds4

About 2-[(S)-(4-methylphenyl)sulfonyl-phenylmethyl]phenol

2-[(S)-(4-methylphenyl)sulfonyl-phenylmethyl]phenol (PubChem CID 177473349) has the molecular formula C20H18O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-[(S)-(4-methylphenyl)sulfonyl-phenylmethyl]phenol.

Molecular Properties

Compound Name2-[(S)-(4-methylphenyl)sulfonyl-phenylmethyl]phenol
PubChem CID177473349
Molecular FormulaC20H18O3S
Molecular Weight338.43 g/mol
Exact Mass338.10
IUPAC Name2-[(S)-(4-methylphenyl)sulfonyl-phenylmethyl]phenol
SMILESCc1ccc(S(=O)(=O)[C@@H](c2ccccc2)c2ccccc2O)cc1
InChIInChI=1S/C20H18O3S/c1-15-11-13-17(14-12-15)24(22,23)20(16-7-3-2-4-8-16)18-9-5-6-10-19(18)21/h2-14,20-21H,1H3/t20-/m0/s1
InChIKeyVBBXYOIXIJUYNM-FQEVSTJZSA-N
XLogP4.26
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene
CID 25242109
2-[benzenesulfonyl(phenyl)methyl]-5-methoxyphenol
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(4-methylphenyl)-phenylmethanesulfonic acid
CID 22237748
1-methyl-4-[(1R)-3-methyl-1-phenylbut-2-enyl]sulfonylbenzene
CID 138985202
1-methyl-4-(1,3,3-triphenylprop-2-enylsulfonyl)benzene
CID 19869938
[(4-methylphenyl)sulfonyl-phenylmethyl]thiourea
CID 86208171
1-[(benzyldisulfanyl)-phenylmethyl]sulfonyl-4-methylbenzene
CID 13397753
3-(4-methylphenyl)sulfonyl-3-phenylpropanal
CID 12538999
1-methyl-4-(2-methyl-3-phenylhepta-1,6-dien-4-yl)sulfonylbenzene
CID 25016640
N-[2-[chloro(phenyl)methyl]phenyl]-4-methylbenzenesulfonamide
CID 172728368
1-bromo-2-[1-(4-methylphenyl)sulfonylethyl]benzene
CID 10903898
2,2-diphenylacetic acid;4-methylbenzenesulfonic acid
CID 174514296

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-(4-methylphenyl)sulfonyl-phenylmethyl]phenol?
The IUPAC name of 2-[(S)-(4-methylphenyl)sulfonyl-phenylmethyl]phenol (CID 177473349) is 2-[(S)-(4-methylphenyl)sulfonyl-phenylmethyl]phenol.
What is the SMILES notation for 2-[(S)-(4-methylphenyl)sulfonyl-phenylmethyl]phenol?
The canonical SMILES for 2-[(S)-(4-methylphenyl)sulfonyl-phenylmethyl]phenol is Cc1ccc(S(=O)(=O)[C@@H](c2ccccc2)c2ccccc2O)cc1.
What is the InChIKey of 2-[(S)-(4-methylphenyl)sulfonyl-phenylmethyl]phenol?
The InChIKey is VBBXYOIXIJUYNM-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H18O3S/c1-15-11-13-17(14-12-15)24(22,23)20(16-7-3-2-4-8-16)18-9-5-6-10-19(18)21/h2-14,20-21H,1H3/t20-/m0/s1.
What are the key properties of 2-[(S)-(4-methylphenyl)sulfonyl-phenylmethyl]phenol?
2-[(S)-(4-methylphenyl)sulfonyl-phenylmethyl]phenol has a molecular weight of 338.43 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-(4-methylphenyl)sulfonyl-phenylmethyl]phenol is sourced from PubChem (CID 177473349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).