(2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanol

C14H12Cl2O3S — CID 61082000

IUPAC(2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanol
SMILESCS(=O)(=O)c1cccc(C(O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H12Cl2O3S/c1-20(18,19)11-4-2-3-9(7-11)14(17)12-8-10(15)5-6-13(12)16/h2-8,14,17H,1H3
InChIKeySHUVGQOFWOJCOO-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.48
Rot. Bonds3

About (2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanol

(2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanol (PubChem CID 61082000) has the molecular formula C14H12Cl2O3S and a molecular weight of 331.22 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanol.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanol
PubChem CID61082000
Molecular FormulaC14H12Cl2O3S
Molecular Weight331.22 g/mol
Exact Mass329.99
IUPAC Name(2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanol
SMILESCS(=O)(=O)c1cccc(C(O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H12Cl2O3S/c1-20(18,19)11-4-2-3-9(7-11)14(17)12-8-10(15)5-6-13(12)16/h2-8,14,17H,1H3
InChIKeySHUVGQOFWOJCOO-UHFFFAOYSA-N
XLogP3.48
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-(3-methylsulfonylphenyl)methanol
CID 61101064
[(2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methyl]hydrazine
CID 105301936
(4-bromo-5-chloro-2-fluorophenyl)-(3-methylsulfonylphenyl)methanol
CID 105399299
(2,5-dichlorophenyl)-[3-(dimethylamino)phenyl]methanol
CID 105093347
(3-chlorophenyl)-(3-methylsulfonylphenyl)methanamine
CID 115811597
(1S,2R)-2-(3,4-dichlorophenyl)-1-(3-methylsulfonylphenyl)pentan-1-ol
CID 158181302
(2,5-dichlorophenyl)-(3-propoxyphenyl)methanol
CID 62919523
(2,5-dichlorophenyl)-(3,5-dimethylphenyl)methanol
CID 61083366
3-methyl-1-(3-methylsulfonylphenyl)but-2-en-1-ol
CID 115817156
(1S)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-(3-methylsulfonylphenyl)propan-1-ol
CID 134419986
furan-3-yl-(3-methylsulfonylphenyl)methanol
CID 115797299
(2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanone
CID 43344607

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanol?
The IUPAC name of (2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanol (CID 61082000) is (2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanol.
What is the SMILES notation for (2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanol?
The canonical SMILES for (2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanol is CS(=O)(=O)c1cccc(C(O)c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of (2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanol?
The InChIKey is SHUVGQOFWOJCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O3S/c1-20(18,19)11-4-2-3-9(7-11)14(17)12-8-10(15)5-6-13(12)16/h2-8,14,17H,1H3.
What are the key properties of (2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanol?
(2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanol has a molecular weight of 331.22 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanol is sourced from PubChem (CID 61082000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).