[4-methyl-3-(3-sulfanylprop-1-enyl)phenyl]methanol

C11H14OS — CID 169455074

IUPAC[4-methyl-3-(3-sulfanylprop-1-enyl)phenyl]methanol
SMILESCc1ccc(CO)cc1C=CCS
InChIInChI=1S/C11H14OS/c1-9-4-5-10(8-12)7-11(9)3-2-6-13/h2-5,7,12-13H,6,8H2,1H3
InChIKeyAXBXRFUBALSIEF-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.43
Rot. Bonds3

About [4-methyl-3-(3-sulfanylprop-1-enyl)phenyl]methanol

[4-methyl-3-(3-sulfanylprop-1-enyl)phenyl]methanol (PubChem CID 169455074) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is [4-methyl-3-(3-sulfanylprop-1-enyl)phenyl]methanol.

Molecular Properties

Compound Name[4-methyl-3-(3-sulfanylprop-1-enyl)phenyl]methanol
PubChem CID169455074
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name[4-methyl-3-(3-sulfanylprop-1-enyl)phenyl]methanol
SMILESCc1ccc(CO)cc1C=CCS
InChIInChI=1S/C11H14OS/c1-9-4-5-10(8-12)7-11(9)3-2-6-13/h2-5,7,12-13H,6,8H2,1H3
InChIKeyAXBXRFUBALSIEF-UHFFFAOYSA-N
XLogP2.43
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-3-(3-sulfanylprop-1-enyl)phenyl]methanol?
The IUPAC name of [4-methyl-3-(3-sulfanylprop-1-enyl)phenyl]methanol (CID 169455074) is [4-methyl-3-(3-sulfanylprop-1-enyl)phenyl]methanol.
What is the SMILES notation for [4-methyl-3-(3-sulfanylprop-1-enyl)phenyl]methanol?
The canonical SMILES for [4-methyl-3-(3-sulfanylprop-1-enyl)phenyl]methanol is Cc1ccc(CO)cc1C=CCS.
What is the InChIKey of [4-methyl-3-(3-sulfanylprop-1-enyl)phenyl]methanol?
The InChIKey is AXBXRFUBALSIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-9-4-5-10(8-12)7-11(9)3-2-6-13/h2-5,7,12-13H,6,8H2,1H3.
What are the key properties of [4-methyl-3-(3-sulfanylprop-1-enyl)phenyl]methanol?
[4-methyl-3-(3-sulfanylprop-1-enyl)phenyl]methanol has a molecular weight of 194.30 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-(3-sulfanylprop-1-enyl)phenyl]methanol is sourced from PubChem (CID 169455074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).