4-(2-sulfanylphenyl)butan-1-ol

C10H14OS — CID 11126913

IUPAC4-(2-sulfanylphenyl)butan-1-ol
SMILESOCCCCc1ccccc1S
InChIInChI=1S/C10H14OS/c11-8-4-3-6-9-5-1-2-7-10(9)12/h1-2,5,7,11-12H,3-4,6,8H2
InChIKeySARKGLZTDHJCFI-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.29
Rot. Bonds4

About 4-(2-sulfanylphenyl)butan-1-ol

4-(2-sulfanylphenyl)butan-1-ol (PubChem CID 11126913) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 4-(2-sulfanylphenyl)butan-1-ol.

Molecular Properties

Compound Name4-(2-sulfanylphenyl)butan-1-ol
PubChem CID11126913
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name4-(2-sulfanylphenyl)butan-1-ol
SMILESOCCCCc1ccccc1S
InChIInChI=1S/C10H14OS/c11-8-4-3-6-9-5-1-2-7-10(9)12/h1-2,5,7,11-12H,3-4,6,8H2
InChIKeySARKGLZTDHJCFI-UHFFFAOYSA-N
XLogP2.29
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzenepropanol
CID 31234
Benzenebutanol
CID 76889
2-Mercaptobenzenemethanol
CID 138278
3-Phenyl-3-buten-1-ol
CID 10888068
2-Fluoro-4-phenylbutan-1-ol
CID 15936950
(2S)-2-fluoro-4-phenylbutan-1-ol
CID 69926103
2-Phenyl-2-sulfanylethanol
CID 579622
4-Phenylpent-4-en-1-ol
CID 11332646
2-Methylidene-4-phenylbutan-1-ol
CID 12865716
3-[3-(Pentafluoro-lambda6-sulfanyl)phenyl]propan-1-ol
CID 70677073
3-Fluoro-4-phenylbutan-1-ol
CID 154714908
3-Phenylpropan-1,1-d2-1-ol
CID 101745621

Frequently Asked Questions

What is the IUPAC name of 4-(2-sulfanylphenyl)butan-1-ol?
The IUPAC name of 4-(2-sulfanylphenyl)butan-1-ol (CID 11126913) is 4-(2-sulfanylphenyl)butan-1-ol.
What is the SMILES notation for 4-(2-sulfanylphenyl)butan-1-ol?
The canonical SMILES for 4-(2-sulfanylphenyl)butan-1-ol is OCCCCc1ccccc1S.
What is the InChIKey of 4-(2-sulfanylphenyl)butan-1-ol?
The InChIKey is SARKGLZTDHJCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c11-8-4-3-6-9-5-1-2-7-10(9)12/h1-2,5,7,11-12H,3-4,6,8H2.
What are the key properties of 4-(2-sulfanylphenyl)butan-1-ol?
4-(2-sulfanylphenyl)butan-1-ol has a molecular weight of 182.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-sulfanylphenyl)butan-1-ol is sourced from PubChem (CID 11126913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).