[5-benzyl-3-(hydroxymethyl)-2-sulfanylphenyl]methanol

C15H16O2S — CID 154195434

IUPAC[5-benzyl-3-(hydroxymethyl)-2-sulfanylphenyl]methanol
SMILESOCc1cc(Cc2ccccc2)cc(CO)c1S
InChIInChI=1S/C15H16O2S/c16-9-13-7-12(8-14(10-17)15(13)18)6-11-4-2-1-3-5-11/h1-5,7-8,16-18H,6,9-10H2
InChIKeyOKWUKXGRCPUBEU-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.55
Rot. Bonds4

About [5-benzyl-3-(hydroxymethyl)-2-sulfanylphenyl]methanol

[5-benzyl-3-(hydroxymethyl)-2-sulfanylphenyl]methanol (PubChem CID 154195434) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is [5-benzyl-3-(hydroxymethyl)-2-sulfanylphenyl]methanol.

Molecular Properties

Compound Name[5-benzyl-3-(hydroxymethyl)-2-sulfanylphenyl]methanol
PubChem CID154195434
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name[5-benzyl-3-(hydroxymethyl)-2-sulfanylphenyl]methanol
SMILESOCc1cc(Cc2ccccc2)cc(CO)c1S
InChIInChI=1S/C15H16O2S/c16-9-13-7-12(8-14(10-17)15(13)18)6-11-4-2-1-3-5-11/h1-5,7-8,16-18H,6,9-10H2
InChIKeyOKWUKXGRCPUBEU-UHFFFAOYSA-N
XLogP2.55
TPSA40.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[2-[[2-[(3-benzylphenyl)methyl]phenyl]methyl]phenyl]methanol
CID 10317524
phenyl(113C)methylbenzene
CID 11194569
1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene
CID 100946405
2,4-dibenzyl-6-(4-benzylphenyl)phenol
CID 170848286
(3-amino-4-benzyl-2-methylphenyl)methanol
CID 70423661
[2-[[2-(hydroxymethyl)phenyl]ditellanyl]phenyl]methanol
CID 11612490
potassium;benzylbenzene;hydride
CID 173011788
bis(benzene-1,4-diol);benzylbenzene
CID 159915102
4-benzyl-2-phenylbenzenethiol
CID 139607533
2-(3,5-dibenzyl-2-hydroxyphenyl)acetamide
CID 163237018
2-(2,3,5-tribenzylphenyl)phenol
CID 101277696
1,4-dibenzylbenzene;ethane
CID 91406396

Frequently Asked Questions

What is the IUPAC name of [5-benzyl-3-(hydroxymethyl)-2-sulfanylphenyl]methanol?
The IUPAC name of [5-benzyl-3-(hydroxymethyl)-2-sulfanylphenyl]methanol (CID 154195434) is [5-benzyl-3-(hydroxymethyl)-2-sulfanylphenyl]methanol.
What is the SMILES notation for [5-benzyl-3-(hydroxymethyl)-2-sulfanylphenyl]methanol?
The canonical SMILES for [5-benzyl-3-(hydroxymethyl)-2-sulfanylphenyl]methanol is OCc1cc(Cc2ccccc2)cc(CO)c1S.
What is the InChIKey of [5-benzyl-3-(hydroxymethyl)-2-sulfanylphenyl]methanol?
The InChIKey is OKWUKXGRCPUBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c16-9-13-7-12(8-14(10-17)15(13)18)6-11-4-2-1-3-5-11/h1-5,7-8,16-18H,6,9-10H2.
What are the key properties of [5-benzyl-3-(hydroxymethyl)-2-sulfanylphenyl]methanol?
[5-benzyl-3-(hydroxymethyl)-2-sulfanylphenyl]methanol has a molecular weight of 260.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-benzyl-3-(hydroxymethyl)-2-sulfanylphenyl]methanol is sourced from PubChem (CID 154195434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).