[2-(3-sulfanylprop-1-ynyl)phenyl]methanol

C10H10OS — CID 169486145

IUPAC[2-(3-sulfanylprop-1-ynyl)phenyl]methanol
SMILESOCc1ccccc1C#CCS
InChIInChI=1S/C10H10OS/c11-8-10-5-2-1-4-9(10)6-3-7-12/h1-2,4-5,11-12H,7-8H2
InChIKeyWYRNLOSYCJGQQK-UHFFFAOYSA-N
MW178.26 g/mol
LogP1.46
Rot. Bonds1

About [2-(3-sulfanylprop-1-ynyl)phenyl]methanol

[2-(3-sulfanylprop-1-ynyl)phenyl]methanol (PubChem CID 169486145) has the molecular formula C10H10OS and a molecular weight of 178.26 g/mol. Its IUPAC name is [2-(3-sulfanylprop-1-ynyl)phenyl]methanol.

Molecular Properties

Compound Name[2-(3-sulfanylprop-1-ynyl)phenyl]methanol
PubChem CID169486145
Molecular FormulaC10H10OS
Molecular Weight178.26 g/mol
Exact Mass178.05
IUPAC Name[2-(3-sulfanylprop-1-ynyl)phenyl]methanol
SMILESOCc1ccccc1C#CCS
InChIInChI=1S/C10H10OS/c11-8-10-5-2-1-4-9(10)6-3-7-12/h1-2,4-5,11-12H,7-8H2
InChIKeyWYRNLOSYCJGQQK-UHFFFAOYSA-N
XLogP1.46
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[2-(hydroxymethyl)phenyl]prop-2-ynyl]phenol
CID 102498550
3-(2-bromophenyl)prop-2-yne-1-thiol
CID 169487572
2-(3-sulfanylprop-1-ynyl)benzoic acid
CID 169486396
4-[2-(hydroxymethyl)phenyl]but-3-yn-2-one
CID 46934608
2-fluoro-3-(3-sulfanylprop-1-ynyl)phenol
CID 169486139
3-(2-methylsulfanylphenyl)prop-2-yne-1-thiol
CID 169486057
2-chloro-3-(3-sulfanylprop-1-ynyl)phenol
CID 169486138
3-[2-(phenylsulfanylmethyl)phenyl]prop-2-yn-1-ol
CID 54974816
4-(2-ethylphenyl)but-3-yn-1-ol
CID 130165779
[2-(3-sulfanylprop-1-ynyl)phenyl]thiourea
CID 169486889
[2-(hydroxymethyl)phenyl]methanol;methane
CID 143282166
[2-(2-pyrazin-2-ylethynyl)phenyl]methanol
CID 12063886

Frequently Asked Questions

What is the IUPAC name of [2-(3-sulfanylprop-1-ynyl)phenyl]methanol?
The IUPAC name of [2-(3-sulfanylprop-1-ynyl)phenyl]methanol (CID 169486145) is [2-(3-sulfanylprop-1-ynyl)phenyl]methanol.
What is the SMILES notation for [2-(3-sulfanylprop-1-ynyl)phenyl]methanol?
The canonical SMILES for [2-(3-sulfanylprop-1-ynyl)phenyl]methanol is OCc1ccccc1C#CCS.
What is the InChIKey of [2-(3-sulfanylprop-1-ynyl)phenyl]methanol?
The InChIKey is WYRNLOSYCJGQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS/c11-8-10-5-2-1-4-9(10)6-3-7-12/h1-2,4-5,11-12H,7-8H2.
What are the key properties of [2-(3-sulfanylprop-1-ynyl)phenyl]methanol?
[2-(3-sulfanylprop-1-ynyl)phenyl]methanol has a molecular weight of 178.26 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-sulfanylprop-1-ynyl)phenyl]methanol is sourced from PubChem (CID 169486145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).