1-[3-hydroxy-3-(4-methylsulfanylphenyl)prop-1-ynyl]cyclopentan-1-ol

C15H18O2S — CID 18386053

IUPAC1-[3-hydroxy-3-(4-methylsulfanylphenyl)prop-1-ynyl]cyclopentan-1-ol
SMILESCSc1ccc(C(O)C#CC2(O)CCCC2)cc1
InChIInChI=1S/C15H18O2S/c1-18-13-6-4-12(5-7-13)14(16)8-11-15(17)9-2-3-10-15/h4-7,14,16-17H,2-3,9-10H2,1H3
InChIKeyGWNJMFPBNVSBBT-UHFFFAOYSA-N
MW262.37 g/mol
LogP2.75
Rot. Bonds2

About 1-[3-hydroxy-3-(4-methylsulfanylphenyl)prop-1-ynyl]cyclopentan-1-ol

1-[3-hydroxy-3-(4-methylsulfanylphenyl)prop-1-ynyl]cyclopentan-1-ol (PubChem CID 18386053) has the molecular formula C15H18O2S and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-[3-hydroxy-3-(4-methylsulfanylphenyl)prop-1-ynyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[3-hydroxy-3-(4-methylsulfanylphenyl)prop-1-ynyl]cyclopentan-1-ol
PubChem CID18386053
Molecular FormulaC15H18O2S
Molecular Weight262.37 g/mol
Exact Mass262.10
IUPAC Name1-[3-hydroxy-3-(4-methylsulfanylphenyl)prop-1-ynyl]cyclopentan-1-ol
SMILESCSc1ccc(C(O)C#CC2(O)CCCC2)cc1
InChIInChI=1S/C15H18O2S/c1-18-13-6-4-12(5-7-13)14(16)8-11-15(17)9-2-3-10-15/h4-7,14,16-17H,2-3,9-10H2,1H3
InChIKeyGWNJMFPBNVSBBT-UHFFFAOYSA-N
XLogP2.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-hydroxy-3-(4-methylsulfanylphenyl)prop-1-ynyl]cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylsulfanylphenyl)-3-trimethylsilylprop-2-yn-1-ol
CID 67313902
(1R)-1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-yn-1-ol
CID 129363499
(1S)-4-ethyl-1-(4-methylsulfanylphenyl)hex-2-yne-1,4-diol
CID 129383928
1-[2-(4-propan-2-ylphenyl)ethynyl]cyclohexan-1-ol
CID 45276566
1-(4-methylsulfanylphenyl)-3-(4-methylsulfonylphenyl)prop-2-yn-1-ol
CID 11232844
2,3-dihydro-1H-inden-5-yl-(4-methylsulfanylphenyl)methanol
CID 79217216
1-[(4-methylsulfanylanilino)methyl]cyclohexan-1-ol
CID 60899212
1-[bis(4-methylsulfanylphenyl)methyl]-4-methylsulfanylbenzene
CID 15747198
[1-[amino-(4-methylsulfanylphenyl)methyl]cyclobutyl]methanol
CID 116944221
1-(4-methylsulfanylphenyl)propan-1-ol
CID 55269333
1,4-bis(methylsulfanyl)benzene;methanol
CID 143321779
1-(4-methoxyphenyl)-4-[(4-methylsulfanylphenyl)methoxy]but-2-yn-1-ol
CID 56968386

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-3-(4-methylsulfanylphenyl)prop-1-ynyl]cyclopentan-1-ol?
The IUPAC name of 1-[3-hydroxy-3-(4-methylsulfanylphenyl)prop-1-ynyl]cyclopentan-1-ol (CID 18386053) is 1-[3-hydroxy-3-(4-methylsulfanylphenyl)prop-1-ynyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[3-hydroxy-3-(4-methylsulfanylphenyl)prop-1-ynyl]cyclopentan-1-ol?
The canonical SMILES for 1-[3-hydroxy-3-(4-methylsulfanylphenyl)prop-1-ynyl]cyclopentan-1-ol is CSc1ccc(C(O)C#CC2(O)CCCC2)cc1.
What is the InChIKey of 1-[3-hydroxy-3-(4-methylsulfanylphenyl)prop-1-ynyl]cyclopentan-1-ol?
The InChIKey is GWNJMFPBNVSBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2S/c1-18-13-6-4-12(5-7-13)14(16)8-11-15(17)9-2-3-10-15/h4-7,14,16-17H,2-3,9-10H2,1H3.
What are the key properties of 1-[3-hydroxy-3-(4-methylsulfanylphenyl)prop-1-ynyl]cyclopentan-1-ol?
1-[3-hydroxy-3-(4-methylsulfanylphenyl)prop-1-ynyl]cyclopentan-1-ol has a molecular weight of 262.37 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-3-(4-methylsulfanylphenyl)prop-1-ynyl]cyclopentan-1-ol is sourced from PubChem (CID 18386053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).