2-cyclopentylsulfanyl-1-(2,3-dimethylphenyl)ethanol

C15H22OS — CID 65138645

IUPAC2-cyclopentylsulfanyl-1-(2,3-dimethylphenyl)ethanol
SMILESCc1cccc(C(O)CSC2CCCC2)c1C
InChIInChI=1S/C15H22OS/c1-11-6-5-9-14(12(11)2)15(16)10-17-13-7-3-4-8-13/h5-6,9,13,15-16H,3-4,7-8,10H2,1-2H3
InChIKeyQNENRLIVWZVNRN-UHFFFAOYSA-N
MW250.41 g/mol
LogP4.01
Rot. Bonds4

About 2-cyclopentylsulfanyl-1-(2,3-dimethylphenyl)ethanol

2-cyclopentylsulfanyl-1-(2,3-dimethylphenyl)ethanol (PubChem CID 65138645) has the molecular formula C15H22OS and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(2,3-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(2,3-dimethylphenyl)ethanol
PubChem CID65138645
Molecular FormulaC15H22OS
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name2-cyclopentylsulfanyl-1-(2,3-dimethylphenyl)ethanol
SMILESCc1cccc(C(O)CSC2CCCC2)c1C
InChIInChI=1S/C15H22OS/c1-11-6-5-9-14(12(11)2)15(16)10-17-13-7-3-4-8-13/h5-6,9,13,15-16H,3-4,7-8,10H2,1-2H3
InChIKeyQNENRLIVWZVNRN-UHFFFAOYSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(2,3-dimethylphenyl)ethanol?
The IUPAC name of 2-cyclopentylsulfanyl-1-(2,3-dimethylphenyl)ethanol (CID 65138645) is 2-cyclopentylsulfanyl-1-(2,3-dimethylphenyl)ethanol.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(2,3-dimethylphenyl)ethanol?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(2,3-dimethylphenyl)ethanol is Cc1cccc(C(O)CSC2CCCC2)c1C.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(2,3-dimethylphenyl)ethanol?
The InChIKey is QNENRLIVWZVNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OS/c1-11-6-5-9-14(12(11)2)15(16)10-17-13-7-3-4-8-13/h5-6,9,13,15-16H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-cyclopentylsulfanyl-1-(2,3-dimethylphenyl)ethanol?
2-cyclopentylsulfanyl-1-(2,3-dimethylphenyl)ethanol has a molecular weight of 250.41 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(2,3-dimethylphenyl)ethanol is sourced from PubChem (CID 65138645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).