[3,5-bis(methylsulfonyl)phenyl]methanol

C9H12O5S2 — CID 2761106

IUPAC[3,5-bis(methylsulfonyl)phenyl]methanol
SMILESCS(=O)(=O)c1cc(CO)cc(S(C)(=O)=O)c1
InChIInChI=1S/C9H12O5S2/c1-15(11,12)8-3-7(6-10)4-9(5-8)16(2,13)14/h3-5,10H,6H2,1-2H3
InChIKeyIDDJNQHFOJHFCH-UHFFFAOYSA-N
MW264.32 g/mol
LogP-0.01
Rot. Bonds3

About [3,5-bis(methylsulfonyl)phenyl]methanol

[3,5-bis(methylsulfonyl)phenyl]methanol (PubChem CID 2761106) has the molecular formula C9H12O5S2 and a molecular weight of 264.32 g/mol. Its IUPAC name is [3,5-bis(methylsulfonyl)phenyl]methanol.

Molecular Properties

Compound Name[3,5-bis(methylsulfonyl)phenyl]methanol
PubChem CID2761106
Molecular FormulaC9H12O5S2
Molecular Weight264.32 g/mol
Exact Mass264.01
IUPAC Name[3,5-bis(methylsulfonyl)phenyl]methanol
SMILESCS(=O)(=O)c1cc(CO)cc(S(C)(=O)=O)c1
InChIInChI=1S/C9H12O5S2/c1-15(11,12)8-3-7(6-10)4-9(5-8)16(2,13)14/h3-5,10H,6H2,1-2H3
InChIKeyIDDJNQHFOJHFCH-UHFFFAOYSA-N
XLogP-0.01
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3,5-bis(methylsulfonyl)phenyl]methanol?
The IUPAC name of [3,5-bis(methylsulfonyl)phenyl]methanol (CID 2761106) is [3,5-bis(methylsulfonyl)phenyl]methanol.
What is the SMILES notation for [3,5-bis(methylsulfonyl)phenyl]methanol?
The canonical SMILES for [3,5-bis(methylsulfonyl)phenyl]methanol is CS(=O)(=O)c1cc(CO)cc(S(C)(=O)=O)c1.
What is the InChIKey of [3,5-bis(methylsulfonyl)phenyl]methanol?
The InChIKey is IDDJNQHFOJHFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O5S2/c1-15(11,12)8-3-7(6-10)4-9(5-8)16(2,13)14/h3-5,10H,6H2,1-2H3.
What are the key properties of [3,5-bis(methylsulfonyl)phenyl]methanol?
[3,5-bis(methylsulfonyl)phenyl]methanol has a molecular weight of 264.32 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(methylsulfonyl)phenyl]methanol is sourced from PubChem (CID 2761106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).