[2-[2-(hydroxymethyl)-4-methylphenyl]sulfonyl-5-methylphenyl]methanol

C16H18O4S — CID 54465943

IUPAC[2-[2-(hydroxymethyl)-4-methylphenyl]sulfonyl-5-methylphenyl]methanol
SMILESCc1ccc(S(=O)(=O)c2ccc(C)cc2CO)c(CO)c1
InChIInChI=1S/C16H18O4S/c1-11-3-5-15(13(7-11)9-17)21(19,20)16-6-4-12(2)8-14(16)10-18/h3-8,17-18H,9-10H2,1-2H3
InChIKeyXEVWLUAEUZRPEG-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.12
Rot. Bonds4

About [2-[2-(hydroxymethyl)-4-methylphenyl]sulfonyl-5-methylphenyl]methanol

[2-[2-(hydroxymethyl)-4-methylphenyl]sulfonyl-5-methylphenyl]methanol (PubChem CID 54465943) has the molecular formula C16H18O4S and a molecular weight of 306.38 g/mol. Its IUPAC name is [2-[2-(hydroxymethyl)-4-methylphenyl]sulfonyl-5-methylphenyl]methanol.

Molecular Properties

Compound Name[2-[2-(hydroxymethyl)-4-methylphenyl]sulfonyl-5-methylphenyl]methanol
PubChem CID54465943
Molecular FormulaC16H18O4S
Molecular Weight306.38 g/mol
Exact Mass306.09
IUPAC Name[2-[2-(hydroxymethyl)-4-methylphenyl]sulfonyl-5-methylphenyl]methanol
SMILESCc1ccc(S(=O)(=O)c2ccc(C)cc2CO)c(CO)c1
InChIInChI=1S/C16H18O4S/c1-11-3-5-15(13(7-11)9-17)21(19,20)16-6-4-12(2)8-14(16)10-18/h3-8,17-18H,9-10H2,1-2H3
InChIKeyXEVWLUAEUZRPEG-UHFFFAOYSA-N
XLogP2.12
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(hydroxymethyl)-4-methylphenyl]sulfonyl-5-methylphenyl]methanol?
The IUPAC name of [2-[2-(hydroxymethyl)-4-methylphenyl]sulfonyl-5-methylphenyl]methanol (CID 54465943) is [2-[2-(hydroxymethyl)-4-methylphenyl]sulfonyl-5-methylphenyl]methanol.
What is the SMILES notation for [2-[2-(hydroxymethyl)-4-methylphenyl]sulfonyl-5-methylphenyl]methanol?
The canonical SMILES for [2-[2-(hydroxymethyl)-4-methylphenyl]sulfonyl-5-methylphenyl]methanol is Cc1ccc(S(=O)(=O)c2ccc(C)cc2CO)c(CO)c1.
What is the InChIKey of [2-[2-(hydroxymethyl)-4-methylphenyl]sulfonyl-5-methylphenyl]methanol?
The InChIKey is XEVWLUAEUZRPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4S/c1-11-3-5-15(13(7-11)9-17)21(19,20)16-6-4-12(2)8-14(16)10-18/h3-8,17-18H,9-10H2,1-2H3.
What are the key properties of [2-[2-(hydroxymethyl)-4-methylphenyl]sulfonyl-5-methylphenyl]methanol?
[2-[2-(hydroxymethyl)-4-methylphenyl]sulfonyl-5-methylphenyl]methanol has a molecular weight of 306.38 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(hydroxymethyl)-4-methylphenyl]sulfonyl-5-methylphenyl]methanol is sourced from PubChem (CID 54465943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).