(5-chloro-2-cyclohexylsulfanylphenyl)methanol

C13H17ClOS — CID 114865544

IUPAC(5-chloro-2-cyclohexylsulfanylphenyl)methanol
SMILESOCc1cc(Cl)ccc1SC1CCCCC1
InChIInChI=1S/C13H17ClOS/c14-11-6-7-13(10(8-11)9-15)16-12-4-2-1-3-5-12/h6-8,12,15H,1-5,9H2
InChIKeyVENOBWWMGVFPTF-UHFFFAOYSA-N
MW256.80 g/mol
LogP4.26
Rot. Bonds3

About (5-chloro-2-cyclohexylsulfanylphenyl)methanol

(5-chloro-2-cyclohexylsulfanylphenyl)methanol (PubChem CID 114865544) has the molecular formula C13H17ClOS and a molecular weight of 256.80 g/mol. Its IUPAC name is (5-chloro-2-cyclohexylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(5-chloro-2-cyclohexylsulfanylphenyl)methanol
PubChem CID114865544
Molecular FormulaC13H17ClOS
Molecular Weight256.80 g/mol
Exact Mass256.07
IUPAC Name(5-chloro-2-cyclohexylsulfanylphenyl)methanol
SMILESOCc1cc(Cl)ccc1SC1CCCCC1
InChIInChI=1S/C13H17ClOS/c14-11-6-7-13(10(8-11)9-15)16-12-4-2-1-3-5-12/h6-8,12,15H,1-5,9H2
InChIKeyVENOBWWMGVFPTF-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.80
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 114865639
(5-chloro-2-methylsulfanylphenyl)methanol
CID 83802070
[5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]methanol
CID 63835816
4-cyclohexylsulfanyl-3-fluoroaniline
CID 43303790
[5-chloro-2-(3-chlorophenyl)sulfanylphenyl]methanol
CID 114865566
3-bromo-4-cyclohexylsulfanylbenzoic acid
CID 82802072
(3-bromo-4-cyclohexylsulfanylphenyl)methanamine
CID 82809229
[5-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methanol
CID 114865485
N-[(2-cyclohexylsulfanyl-5-methylphenyl)methyl]ethanamine
CID 114055413
1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanol
CID 63835939
(3-cyclohexylsulfanylphenyl)methanol
CID 66348157
1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanone
CID 55223975

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-cyclohexylsulfanylphenyl)methanol?
The IUPAC name of (5-chloro-2-cyclohexylsulfanylphenyl)methanol (CID 114865544) is (5-chloro-2-cyclohexylsulfanylphenyl)methanol.
What is the SMILES notation for (5-chloro-2-cyclohexylsulfanylphenyl)methanol?
The canonical SMILES for (5-chloro-2-cyclohexylsulfanylphenyl)methanol is OCc1cc(Cl)ccc1SC1CCCCC1.
What is the InChIKey of (5-chloro-2-cyclohexylsulfanylphenyl)methanol?
The InChIKey is VENOBWWMGVFPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClOS/c14-11-6-7-13(10(8-11)9-15)16-12-4-2-1-3-5-12/h6-8,12,15H,1-5,9H2.
What are the key properties of (5-chloro-2-cyclohexylsulfanylphenyl)methanol?
(5-chloro-2-cyclohexylsulfanylphenyl)methanol has a molecular weight of 256.80 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-cyclohexylsulfanylphenyl)methanol is sourced from PubChem (CID 114865544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).