(4-chloro-2-cyclopentylsulfanylphenyl)methanol

C12H15ClOS — CID 114865639

IUPAC(4-chloro-2-cyclopentylsulfanylphenyl)methanol
SMILESOCc1ccc(Cl)cc1SC1CCCC1
InChIInChI=1S/C12H15ClOS/c13-10-6-5-9(8-14)12(7-10)15-11-3-1-2-4-11/h5-7,11,14H,1-4,8H2
InChIKeyNXSACFXXSQAHRD-UHFFFAOYSA-N
MW242.77 g/mol
LogP3.87
Rot. Bonds3

About (4-chloro-2-cyclopentylsulfanylphenyl)methanol

(4-chloro-2-cyclopentylsulfanylphenyl)methanol (PubChem CID 114865639) has the molecular formula C12H15ClOS and a molecular weight of 242.77 g/mol. Its IUPAC name is (4-chloro-2-cyclopentylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(4-chloro-2-cyclopentylsulfanylphenyl)methanol
PubChem CID114865639
Molecular FormulaC12H15ClOS
Molecular Weight242.77 g/mol
Exact Mass242.05
IUPAC Name(4-chloro-2-cyclopentylsulfanylphenyl)methanol
SMILESOCc1ccc(Cl)cc1SC1CCCC1
InChIInChI=1S/C12H15ClOS/c13-10-6-5-9(8-14)12(7-10)15-11-3-1-2-4-11/h5-7,11,14H,1-4,8H2
InChIKeyNXSACFXXSQAHRD-UHFFFAOYSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[5-chloro-2-(hydroxymethyl)phenyl]sulfanyl-2-methylpropan-1-ol
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[4-chloro-2-(2-methylpiperidin-1-yl)phenyl]methanol
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CID 114865006
[2-[(2R)-azetidin-2-yl]-4-chlorophenyl]methanol
CID 130665382
N-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-propylbenzamide
CID 121391204
2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)ethanol
CID 60981166
[5-chloro-2-[cyclopropyl(methyl)amino]phenyl]methanol
CID 114845206
(2-chlorophenyl)sulfanylcyclooctane
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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-cyclopentylsulfanylphenyl)methanol?
The IUPAC name of (4-chloro-2-cyclopentylsulfanylphenyl)methanol (CID 114865639) is (4-chloro-2-cyclopentylsulfanylphenyl)methanol.
What is the SMILES notation for (4-chloro-2-cyclopentylsulfanylphenyl)methanol?
The canonical SMILES for (4-chloro-2-cyclopentylsulfanylphenyl)methanol is OCc1ccc(Cl)cc1SC1CCCC1.
What is the InChIKey of (4-chloro-2-cyclopentylsulfanylphenyl)methanol?
The InChIKey is NXSACFXXSQAHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClOS/c13-10-6-5-9(8-14)12(7-10)15-11-3-1-2-4-11/h5-7,11,14H,1-4,8H2.
What are the key properties of (4-chloro-2-cyclopentylsulfanylphenyl)methanol?
(4-chloro-2-cyclopentylsulfanylphenyl)methanol has a molecular weight of 242.77 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-cyclopentylsulfanylphenyl)methanol is sourced from PubChem (CID 114865639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).