1-cyclopentyl-3-[(3-methylphenyl)methylsulfanyl]propan-2-ol

C16H24OS — CID 103160784

IUPAC1-cyclopentyl-3-[(3-methylphenyl)methylsulfanyl]propan-2-ol
SMILESCc1cccc(CSCC(O)CC2CCCC2)c1
InChIInChI=1S/C16H24OS/c1-13-5-4-8-15(9-13)11-18-12-16(17)10-14-6-2-3-7-14/h4-5,8-9,14,16-17H,2-3,6-7,10-12H2,1H3
InChIKeyCSICUGPMJXIJJP-UHFFFAOYSA-N
MW264.43 g/mol
LogP4.17
Rot. Bonds6

About 1-cyclopentyl-3-[(3-methylphenyl)methylsulfanyl]propan-2-ol

1-cyclopentyl-3-[(3-methylphenyl)methylsulfanyl]propan-2-ol (PubChem CID 103160784) has the molecular formula C16H24OS and a molecular weight of 264.43 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(3-methylphenyl)methylsulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[(3-methylphenyl)methylsulfanyl]propan-2-ol
PubChem CID103160784
Molecular FormulaC16H24OS
Molecular Weight264.43 g/mol
Exact Mass264.15
IUPAC Name1-cyclopentyl-3-[(3-methylphenyl)methylsulfanyl]propan-2-ol
SMILESCc1cccc(CSCC(O)CC2CCCC2)c1
InChIInChI=1S/C16H24OS/c1-13-5-4-8-15(9-13)11-18-12-16(17)10-14-6-2-3-7-14/h4-5,8-9,14,16-17H,2-3,6-7,10-12H2,1H3
InChIKeyCSICUGPMJXIJJP-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-methylphenyl)methylsulfanyl]propane-1,2-diol
CID 79683070
1-[(3-methylphenyl)methylsulfanyl]-3-(propan-2-ylamino)propan-2-ol
CID 55112688
4-cyclopentyl-1-(3-methylphenyl)butan-2-ol
CID 55149919
2-(cyclopropylamino)-3-[(3-methylphenyl)methylsulfanyl]propan-1-ol
CID 64807361
1-cyclopentyl-3-(3,5-dimethylphenyl)propan-2-ol
CID 62607509
1-cyclohexyl-2-(3-methylphenyl)ethanol
CID 60798994
N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentanamine
CID 55112789
1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol
CID 103161079
N-[(1R,2R)-2-hydroxycyclohexyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 104927220
2-amino-3-[(3-methylphenyl)methylsulfanyl]propanenitrile
CID 62766585
2-[(3-methylphenyl)methylsulfanylmethyl]azetidine
CID 115070956
1-(3-aminophenyl)sulfanyl-3-cyclopentylpropan-2-ol
CID 103158873

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(3-methylphenyl)methylsulfanyl]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[(3-methylphenyl)methylsulfanyl]propan-2-ol (CID 103160784) is 1-cyclopentyl-3-[(3-methylphenyl)methylsulfanyl]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[(3-methylphenyl)methylsulfanyl]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[(3-methylphenyl)methylsulfanyl]propan-2-ol is Cc1cccc(CSCC(O)CC2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-3-[(3-methylphenyl)methylsulfanyl]propan-2-ol?
The InChIKey is CSICUGPMJXIJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24OS/c1-13-5-4-8-15(9-13)11-18-12-16(17)10-14-6-2-3-7-14/h4-5,8-9,14,16-17H,2-3,6-7,10-12H2,1H3.
What are the key properties of 1-cyclopentyl-3-[(3-methylphenyl)methylsulfanyl]propan-2-ol?
1-cyclopentyl-3-[(3-methylphenyl)methylsulfanyl]propan-2-ol has a molecular weight of 264.43 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(3-methylphenyl)methylsulfanyl]propan-2-ol is sourced from PubChem (CID 103160784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).