1-cyclopentyl-2-(3-methylphenyl)sulfanylethanol

C14H20OS — CID 66088334

IUPAC1-cyclopentyl-2-(3-methylphenyl)sulfanylethanol
SMILESCc1cccc(SCC(O)C2CCCC2)c1
InChIInChI=1S/C14H20OS/c1-11-5-4-8-13(9-11)16-10-14(15)12-6-2-3-7-12/h4-5,8-9,12,14-15H,2-3,6-7,10H2,1H3
InChIKeyIWYDJVWQSULEAZ-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.64
Rot. Bonds4

About 1-cyclopentyl-2-(3-methylphenyl)sulfanylethanol

1-cyclopentyl-2-(3-methylphenyl)sulfanylethanol (PubChem CID 66088334) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is 1-cyclopentyl-2-(3-methylphenyl)sulfanylethanol.

Molecular Properties

Compound Name1-cyclopentyl-2-(3-methylphenyl)sulfanylethanol
PubChem CID66088334
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Name1-cyclopentyl-2-(3-methylphenyl)sulfanylethanol
SMILESCc1cccc(SCC(O)C2CCCC2)c1
InChIInChI=1S/C14H20OS/c1-11-5-4-8-13(9-11)16-10-14(15)12-6-2-3-7-12/h4-5,8-9,12,14-15H,2-3,6-7,10H2,1H3
InChIKeyIWYDJVWQSULEAZ-UHFFFAOYSA-N
XLogP3.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-2-(3-methylphenyl)sulfanylethanol
CID 66087943
2-(3-bromophenyl)sulfanyl-1-cycloheptylethanol
CID 82932372
1-(3-methylphenyl)sulfanylpropan-2-ol
CID 61244165
2-(3-methylphenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol
CID 116517234
1-cyclohexyl-2-(3-methylphenyl)ethanol
CID 60798994
1-cyclopropyl-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64626290
1-(2,2-difluoroethylsulfanyl)-3-methylbenzene
CID 130741881
1-(3-methylphenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol
CID 61243797
2-(3-methylphenyl)sulfanyl-1-thiophen-3-ylethanol
CID 66086004
1-cyclobutyl-N-ethyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087783
4,6-dimethyl-1-(3-methylphenyl)sulfanylheptan-2-ol
CID 114200730
2-cyclohexyl-2-(3-methylphenyl)sulfanylethanamine
CID 82931065

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(3-methylphenyl)sulfanylethanol?
The IUPAC name of 1-cyclopentyl-2-(3-methylphenyl)sulfanylethanol (CID 66088334) is 1-cyclopentyl-2-(3-methylphenyl)sulfanylethanol.
What is the SMILES notation for 1-cyclopentyl-2-(3-methylphenyl)sulfanylethanol?
The canonical SMILES for 1-cyclopentyl-2-(3-methylphenyl)sulfanylethanol is Cc1cccc(SCC(O)C2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-2-(3-methylphenyl)sulfanylethanol?
The InChIKey is IWYDJVWQSULEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OS/c1-11-5-4-8-13(9-11)16-10-14(15)12-6-2-3-7-12/h4-5,8-9,12,14-15H,2-3,6-7,10H2,1H3.
What are the key properties of 1-cyclopentyl-2-(3-methylphenyl)sulfanylethanol?
1-cyclopentyl-2-(3-methylphenyl)sulfanylethanol has a molecular weight of 236.38 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(3-methylphenyl)sulfanylethanol is sourced from PubChem (CID 66088334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).