[2-(4-methylphenyl)sulfinylphenyl]methanol

C14H14O2S — CID 91103564

IUPAC[2-(4-methylphenyl)sulfinylphenyl]methanol
SMILESCc1ccc(S(=O)c2ccccc2CO)cc1
InChIInChI=1S/C14H14O2S/c1-11-6-8-13(9-7-11)17(16)14-5-3-2-4-12(14)10-15/h2-9,15H,10H2,1H3
InChIKeyONYHFQMDEUVNLQ-UHFFFAOYSA-N
MW246.33 g/mol
LogP2.65
Rot. Bonds3

About [2-(4-methylphenyl)sulfinylphenyl]methanol

[2-(4-methylphenyl)sulfinylphenyl]methanol (PubChem CID 91103564) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is [2-(4-methylphenyl)sulfinylphenyl]methanol.

Molecular Properties

Compound Name[2-(4-methylphenyl)sulfinylphenyl]methanol
PubChem CID91103564
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name[2-(4-methylphenyl)sulfinylphenyl]methanol
SMILESCc1ccc(S(=O)c2ccccc2CO)cc1
InChIInChI=1S/C14H14O2S/c1-11-6-8-13(9-7-11)17(16)14-5-3-2-4-12(14)10-15/h2-9,15H,10H2,1H3
InChIKeyONYHFQMDEUVNLQ-UHFFFAOYSA-N
XLogP2.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S,E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)ethanol
CID 11545423
(E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)ethanol
CID 21099378
(2-([2-(Hydroxymethyl)phenyl]disulfanyl)phenyl)methanol
CID 816729
[4-(Methylsulfanyl)phenyl]methanol
CID 592968
Rac-1,1,1-trifluoro-2-(4-(o-tolylsulfonyl)phenyl)propan-2-ol
CID 11515715
(E)-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)methanol
CID 11559695
2-[4-(2-Ethylbenzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 52941221
Rac-1,1,1-trifluoro-2-(4-(2-(trifluoromethyl)phenylsulfonyl)phenyl)propan-2-ol
CID 52949732
(2-Methanesulfonylphenyl)methanol
CID 22050773
(3-Methanesulfonylphenyl)methanol
CID 23549738
[2-(Phenylsulfanyl)phenyl]methanol
CID 12682368
1-Phenyl-2-(phenylsulfinyl)ethanol
CID 288472

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)sulfinylphenyl]methanol?
The IUPAC name of [2-(4-methylphenyl)sulfinylphenyl]methanol (CID 91103564) is [2-(4-methylphenyl)sulfinylphenyl]methanol.
What is the SMILES notation for [2-(4-methylphenyl)sulfinylphenyl]methanol?
The canonical SMILES for [2-(4-methylphenyl)sulfinylphenyl]methanol is Cc1ccc(S(=O)c2ccccc2CO)cc1.
What is the InChIKey of [2-(4-methylphenyl)sulfinylphenyl]methanol?
The InChIKey is ONYHFQMDEUVNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-11-6-8-13(9-7-11)17(16)14-5-3-2-4-12(14)10-15/h2-9,15H,10H2,1H3.
What are the key properties of [2-(4-methylphenyl)sulfinylphenyl]methanol?
[2-(4-methylphenyl)sulfinylphenyl]methanol has a molecular weight of 246.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)sulfinylphenyl]methanol is sourced from PubChem (CID 91103564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).