1-cyclopentylsulfanyl-3-(4-ethylphenyl)propan-2-ol

C16H24OS — CID 65138544

IUPAC1-cyclopentylsulfanyl-3-(4-ethylphenyl)propan-2-ol
SMILESCCc1ccc(CC(O)CSC2CCCC2)cc1
InChIInChI=1S/C16H24OS/c1-2-13-7-9-14(10-8-13)11-15(17)12-18-16-5-3-4-6-16/h7-10,15-17H,2-6,11-12H2,1H3
InChIKeyCIVBVMLQSALURJ-UHFFFAOYSA-N
MW264.43 g/mol
LogP3.83
Rot. Bonds6

About 1-cyclopentylsulfanyl-3-(4-ethylphenyl)propan-2-ol

1-cyclopentylsulfanyl-3-(4-ethylphenyl)propan-2-ol (PubChem CID 65138544) has the molecular formula C16H24OS and a molecular weight of 264.43 g/mol. Its IUPAC name is 1-cyclopentylsulfanyl-3-(4-ethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentylsulfanyl-3-(4-ethylphenyl)propan-2-ol
PubChem CID65138544
Molecular FormulaC16H24OS
Molecular Weight264.43 g/mol
Exact Mass264.15
IUPAC Name1-cyclopentylsulfanyl-3-(4-ethylphenyl)propan-2-ol
SMILESCCc1ccc(CC(O)CSC2CCCC2)cc1
InChIInChI=1S/C16H24OS/c1-2-13-7-9-14(10-8-13)11-15(17)12-18-16-5-3-4-6-16/h7-10,15-17H,2-6,11-12H2,1H3
InChIKeyCIVBVMLQSALURJ-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfanyl-3-(4-ethylphenyl)propan-2-ol?
The IUPAC name of 1-cyclopentylsulfanyl-3-(4-ethylphenyl)propan-2-ol (CID 65138544) is 1-cyclopentylsulfanyl-3-(4-ethylphenyl)propan-2-ol.
What is the SMILES notation for 1-cyclopentylsulfanyl-3-(4-ethylphenyl)propan-2-ol?
The canonical SMILES for 1-cyclopentylsulfanyl-3-(4-ethylphenyl)propan-2-ol is CCc1ccc(CC(O)CSC2CCCC2)cc1.
What is the InChIKey of 1-cyclopentylsulfanyl-3-(4-ethylphenyl)propan-2-ol?
The InChIKey is CIVBVMLQSALURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24OS/c1-2-13-7-9-14(10-8-13)11-15(17)12-18-16-5-3-4-6-16/h7-10,15-17H,2-6,11-12H2,1H3.
What are the key properties of 1-cyclopentylsulfanyl-3-(4-ethylphenyl)propan-2-ol?
1-cyclopentylsulfanyl-3-(4-ethylphenyl)propan-2-ol has a molecular weight of 264.43 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanyl-3-(4-ethylphenyl)propan-2-ol is sourced from PubChem (CID 65138544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).