[4-(benzenesulfonyl)phenyl]methanol

C13H12O3S — CID 12801750

IUPAC[4-(benzenesulfonyl)phenyl]methanol
SMILESO=S(=O)(c1ccccc1)c1ccc(CO)cc1
InChIInChI=1S/C13H12O3S/c14-10-11-6-8-13(9-7-11)17(15,16)12-4-2-1-3-5-12/h1-9,14H,10H2
InChIKeyCTJSJECQOXDNTO-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.01
Rot. Bonds3

About [4-(benzenesulfonyl)phenyl]methanol

[4-(benzenesulfonyl)phenyl]methanol (PubChem CID 12801750) has the molecular formula C13H12O3S and a molecular weight of 248.30 g/mol. Its IUPAC name is [4-(benzenesulfonyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(benzenesulfonyl)phenyl]methanol
PubChem CID12801750
Molecular FormulaC13H12O3S
Molecular Weight248.30 g/mol
Exact Mass248.05
IUPAC Name[4-(benzenesulfonyl)phenyl]methanol
SMILESO=S(=O)(c1ccccc1)c1ccc(CO)cc1
InChIInChI=1S/C13H12O3S/c14-10-11-6-8-13(9-7-11)17(15,16)12-4-2-1-3-5-12/h1-9,14H,10H2
InChIKeyCTJSJECQOXDNTO-UHFFFAOYSA-N
XLogP2.01
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)phenyl]methanol?
The IUPAC name of [4-(benzenesulfonyl)phenyl]methanol (CID 12801750) is [4-(benzenesulfonyl)phenyl]methanol.
What is the SMILES notation for [4-(benzenesulfonyl)phenyl]methanol?
The canonical SMILES for [4-(benzenesulfonyl)phenyl]methanol is O=S(=O)(c1ccccc1)c1ccc(CO)cc1.
What is the InChIKey of [4-(benzenesulfonyl)phenyl]methanol?
The InChIKey is CTJSJECQOXDNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3S/c14-10-11-6-8-13(9-7-11)17(15,16)12-4-2-1-3-5-12/h1-9,14H,10H2.
What are the key properties of [4-(benzenesulfonyl)phenyl]methanol?
[4-(benzenesulfonyl)phenyl]methanol has a molecular weight of 248.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)phenyl]methanol is sourced from PubChem (CID 12801750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).