[4-[1-(3-methylphenyl)ethylsulfonylmethyl]phenyl]methanol

C17H20O3S — CID 110005761

IUPAC[4-[1-(3-methylphenyl)ethylsulfonylmethyl]phenyl]methanol
SMILESCc1cccc(C(C)S(=O)(=O)Cc2ccc(CO)cc2)c1
InChIInChI=1S/C17H20O3S/c1-13-4-3-5-17(10-13)14(2)21(19,20)12-16-8-6-15(11-18)7-9-16/h3-10,14,18H,11-12H2,1-2H3
InChIKeyXYJYIKSUHJSQKP-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.16
Rot. Bonds5

About [4-[1-(3-methylphenyl)ethylsulfonylmethyl]phenyl]methanol

[4-[1-(3-methylphenyl)ethylsulfonylmethyl]phenyl]methanol (PubChem CID 110005761) has the molecular formula C17H20O3S and a molecular weight of 304.41 g/mol. Its IUPAC name is [4-[1-(3-methylphenyl)ethylsulfonylmethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[1-(3-methylphenyl)ethylsulfonylmethyl]phenyl]methanol
PubChem CID110005761
Molecular FormulaC17H20O3S
Molecular Weight304.41 g/mol
Exact Mass304.11
IUPAC Name[4-[1-(3-methylphenyl)ethylsulfonylmethyl]phenyl]methanol
SMILESCc1cccc(C(C)S(=O)(=O)Cc2ccc(CO)cc2)c1
InChIInChI=1S/C17H20O3S/c1-13-4-3-5-17(10-13)14(2)21(19,20)12-16-8-6-15(11-18)7-9-16/h3-10,14,18H,11-12H2,1-2H3
InChIKeyXYJYIKSUHJSQKP-UHFFFAOYSA-N
XLogP3.16
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol
CID 110005773
2-(3-methylphenyl)propan-1-ol
CID 21478686
1-tert-butyl-4-(1-phenylethylsulfonylmethyl)benzene
CID 78876856
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]-N-propan-2-ylbenzamide
CID 46989736
(2S)-2-(3-methylphenyl)propanoate
CID 86312552
sodium 2-(3-methylphenyl)propanoate
CID 23706698
2-(3-methylphenyl)-4-propan-2-ylsulfonylbutanoic acid
CID 106727832
1,2-bis(3-methylphenyl)propan-1-one
CID 145487890
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 107232038
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide
CID 27210154
ethyl (2S)-2-(3-methylphenyl)propanoate
CID 14891800

Frequently Asked Questions

What is the IUPAC name of [4-[1-(3-methylphenyl)ethylsulfonylmethyl]phenyl]methanol?
The IUPAC name of [4-[1-(3-methylphenyl)ethylsulfonylmethyl]phenyl]methanol (CID 110005761) is [4-[1-(3-methylphenyl)ethylsulfonylmethyl]phenyl]methanol.
What is the SMILES notation for [4-[1-(3-methylphenyl)ethylsulfonylmethyl]phenyl]methanol?
The canonical SMILES for [4-[1-(3-methylphenyl)ethylsulfonylmethyl]phenyl]methanol is Cc1cccc(C(C)S(=O)(=O)Cc2ccc(CO)cc2)c1.
What is the InChIKey of [4-[1-(3-methylphenyl)ethylsulfonylmethyl]phenyl]methanol?
The InChIKey is XYJYIKSUHJSQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3S/c1-13-4-3-5-17(10-13)14(2)21(19,20)12-16-8-6-15(11-18)7-9-16/h3-10,14,18H,11-12H2,1-2H3.
What are the key properties of [4-[1-(3-methylphenyl)ethylsulfonylmethyl]phenyl]methanol?
[4-[1-(3-methylphenyl)ethylsulfonylmethyl]phenyl]methanol has a molecular weight of 304.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(3-methylphenyl)ethylsulfonylmethyl]phenyl]methanol is sourced from PubChem (CID 110005761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).