(S)-[2-(4-chlorophenyl)phenyl]-cyclohexylmethanol

C19H21ClO — CID 58080086

IUPAC(S)-[2-(4-chlorophenyl)phenyl]-cyclohexylmethanol
SMILESO[C@H](c1ccccc1-c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C19H21ClO/c20-16-12-10-14(11-13-16)17-8-4-5-9-18(17)19(21)15-6-2-1-3-7-15/h4-5,8-13,15,19,21H,1-3,6-7H2/t19-/m0/s1
InChIKeyCFNSLLBKSMCMIR-IBGZPJMESA-N
MW300.83 g/mol
LogP5.62
Rot. Bonds3

About (S)-[2-(4-chlorophenyl)phenyl]-cyclohexylmethanol

(S)-[2-(4-chlorophenyl)phenyl]-cyclohexylmethanol (PubChem CID 58080086) has the molecular formula C19H21ClO and a molecular weight of 300.83 g/mol. Its IUPAC name is (S)-[2-(4-chlorophenyl)phenyl]-cyclohexylmethanol.

Molecular Properties

Compound Name(S)-[2-(4-chlorophenyl)phenyl]-cyclohexylmethanol
PubChem CID58080086
Molecular FormulaC19H21ClO
Molecular Weight300.83 g/mol
Exact Mass300.13
IUPAC Name(S)-[2-(4-chlorophenyl)phenyl]-cyclohexylmethanol
SMILESO[C@H](c1ccccc1-c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C19H21ClO/c20-16-12-10-14(11-13-16)17-8-4-5-9-18(17)19(21)15-6-2-1-3-7-15/h4-5,8-13,15,19,21H,1-3,6-7H2/t19-/m0/s1
InChIKeyCFNSLLBKSMCMIR-IBGZPJMESA-N
XLogP5.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.83
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-[[2-(4-chlorophenyl)phenyl]-hydroxymethyl]piperidin-1-yl]benzoic acid
CID 66723581
(R)-(2-chlorophenyl)-cyclopentylmethanol
CID 93462160
4-[4-[[2-(4-chlorophenyl)phenyl]-hydroxymethyl]piperidin-1-yl]-3-ethylbenzoic acid
CID 66723574
(5-chloro-2-methoxyphenyl)-cyclooctylmethanol
CID 80603904
(R)-cyclopentyl-(2-methylphenyl)methanol
CID 93312335
cyclohexyl-[2-(trifluoromethyl)phenyl]methanol
CID 62801472
[2-(4-chlorophenyl)phenyl]-cyclohexylmethanone
CID 58080078
cyclobutyl-(2,3-dichlorophenyl)methanol
CID 64986948
cyclopentyl-(2,3-difluorophenyl)methanol
CID 63894572
cyclooctyl-(2-propan-2-yloxyphenyl)methanol
CID 80603247
(R)-cycloheptyl(phenyl)methanol
CID 94502427
cyclobutyl-(2-iodophenyl)methanol
CID 115837930

Frequently Asked Questions

What is the IUPAC name of (S)-[2-(4-chlorophenyl)phenyl]-cyclohexylmethanol?
The IUPAC name of (S)-[2-(4-chlorophenyl)phenyl]-cyclohexylmethanol (CID 58080086) is (S)-[2-(4-chlorophenyl)phenyl]-cyclohexylmethanol.
What is the SMILES notation for (S)-[2-(4-chlorophenyl)phenyl]-cyclohexylmethanol?
The canonical SMILES for (S)-[2-(4-chlorophenyl)phenyl]-cyclohexylmethanol is O[C@H](c1ccccc1-c1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of (S)-[2-(4-chlorophenyl)phenyl]-cyclohexylmethanol?
The InChIKey is CFNSLLBKSMCMIR-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21ClO/c20-16-12-10-14(11-13-16)17-8-4-5-9-18(17)19(21)15-6-2-1-3-7-15/h4-5,8-13,15,19,21H,1-3,6-7H2/t19-/m0/s1.
What are the key properties of (S)-[2-(4-chlorophenyl)phenyl]-cyclohexylmethanol?
(S)-[2-(4-chlorophenyl)phenyl]-cyclohexylmethanol has a molecular weight of 300.83 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[2-(4-chlorophenyl)phenyl]-cyclohexylmethanol is sourced from PubChem (CID 58080086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).