(4-chlorophenyl)-(3-methylsulfonylphenyl)methanol

C14H13ClO3S — CID 61101064

IUPAC(4-chlorophenyl)-(3-methylsulfonylphenyl)methanol
SMILESCS(=O)(=O)c1cccc(C(O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H13ClO3S/c1-19(17,18)13-4-2-3-11(9-13)14(16)10-5-7-12(15)8-6-10/h2-9,14,16H,1H3
InChIKeyDLHWUKCWAGNQIS-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.83
Rot. Bonds3

About (4-chlorophenyl)-(3-methylsulfonylphenyl)methanol

(4-chlorophenyl)-(3-methylsulfonylphenyl)methanol (PubChem CID 61101064) has the molecular formula C14H13ClO3S and a molecular weight of 296.78 g/mol. Its IUPAC name is (4-chlorophenyl)-(3-methylsulfonylphenyl)methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(3-methylsulfonylphenyl)methanol
PubChem CID61101064
Molecular FormulaC14H13ClO3S
Molecular Weight296.78 g/mol
Exact Mass296.03
IUPAC Name(4-chlorophenyl)-(3-methylsulfonylphenyl)methanol
SMILESCS(=O)(=O)c1cccc(C(O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H13ClO3S/c1-19(17,18)13-4-2-3-11(9-13)14(16)10-5-7-12(15)8-6-10/h2-9,14,16H,1H3
InChIKeyDLHWUKCWAGNQIS-UHFFFAOYSA-N
XLogP2.83
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-chlorophenyl)-(3-methylsulfonylphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanol
CID 61082000
furan-3-yl-(3-methylsulfonylphenyl)methanol
CID 115797299
(4-bromo-5-chloro-2-fluorophenyl)-(3-methylsulfonylphenyl)methanol
CID 105399299
1-[chloro-(4-methylphenyl)methyl]-3-methylsulfonylbenzene
CID 61085108
(3-chlorophenyl)-(3-methylsulfonylphenyl)methanamine
CID 115811597
3-methyl-1-(3-methylsulfonylphenyl)but-2-en-1-ol
CID 115817156
(4-fluoro-3-methylphenyl)-(4-methylsulfonylphenyl)methanol
CID 79746730
(R)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146657
(S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146658
1-(difluoromethyl)-3-methylsulfonylbenzene
CID 154791321
1-[bromo-(4-propan-2-ylphenyl)methyl]-3-methylsulfonylbenzene
CID 61098206
(3-bromo-5-methylthiophen-2-yl)-(3-methylsulfonylphenyl)methanol
CID 65278954

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3-methylsulfonylphenyl)methanol?
The IUPAC name of (4-chlorophenyl)-(3-methylsulfonylphenyl)methanol (CID 61101064) is (4-chlorophenyl)-(3-methylsulfonylphenyl)methanol.
What is the SMILES notation for (4-chlorophenyl)-(3-methylsulfonylphenyl)methanol?
The canonical SMILES for (4-chlorophenyl)-(3-methylsulfonylphenyl)methanol is CS(=O)(=O)c1cccc(C(O)c2ccc(Cl)cc2)c1.
What is the InChIKey of (4-chlorophenyl)-(3-methylsulfonylphenyl)methanol?
The InChIKey is DLHWUKCWAGNQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO3S/c1-19(17,18)13-4-2-3-11(9-13)14(16)10-5-7-12(15)8-6-10/h2-9,14,16H,1H3.
What are the key properties of (4-chlorophenyl)-(3-methylsulfonylphenyl)methanol?
(4-chlorophenyl)-(3-methylsulfonylphenyl)methanol has a molecular weight of 296.78 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(3-methylsulfonylphenyl)methanol is sourced from PubChem (CID 61101064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).