2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanol

C14H19FOS — CID 65138964

IUPAC2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)ccc1C(O)CSC1CCCC1
InChIInChI=1S/C14H19FOS/c1-10-8-11(15)6-7-13(10)14(16)9-17-12-4-2-3-5-12/h6-8,12,14,16H,2-5,9H2,1H3
InChIKeyMJEMBJLGSGVDGX-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.84
Rot. Bonds4

About 2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanol

2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanol (PubChem CID 65138964) has the molecular formula C14H19FOS and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanol
PubChem CID65138964
Molecular FormulaC14H19FOS
Molecular Weight254.37 g/mol
Exact Mass254.11
IUPAC Name2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)ccc1C(O)CSC1CCCC1
InChIInChI=1S/C14H19FOS/c1-10-8-11(15)6-7-13(10)14(16)9-17-12-4-2-3-5-12/h6-8,12,14,16H,2-5,9H2,1H3
InChIKeyMJEMBJLGSGVDGX-UHFFFAOYSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanol
CID 60981296
2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)ethanol
CID 65139431
2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanamine
CID 65138607
2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 82770118
cyclopentyl-(4-fluoro-2-methylphenyl)methanol
CID 62789449
2-cyclopentylsulfanyl-1-(2,3-dimethylphenyl)ethanol
CID 65138645
[1-cyclopentylsulfanyl-3-(4-fluoro-2-methylphenyl)propan-2-yl]hydrazine
CID 105227601
[2-cyclohexylsulfanyl-1-(5-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105227725
cyclobutyl-(4-fluoro-2-methylphenyl)methanol
CID 64987002
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
2-[cyclobutylmethyl(methyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565104
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluoro-2-methylphenyl)ethanol
CID 111629922

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanol (CID 65138964) is 2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanol is Cc1cc(F)ccc1C(O)CSC1CCCC1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanol?
The InChIKey is MJEMBJLGSGVDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FOS/c1-10-8-11(15)6-7-13(10)14(16)9-17-12-4-2-3-5-12/h6-8,12,14,16H,2-5,9H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanol?
2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanol has a molecular weight of 254.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 65138964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).