(2-chlorophenyl)-(1-phenylcyclohexyl)methanol

C19H21ClO — CID 63414657

IUPAC(2-chlorophenyl)-(1-phenylcyclohexyl)methanol
SMILESOC(c1ccccc1Cl)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C19H21ClO/c20-17-12-6-5-11-16(17)18(21)19(13-7-2-8-14-19)15-9-3-1-4-10-15/h1,3-6,9-12,18,21H,2,7-8,13-14H2
InChIKeyXKZWPAIEOOQMIA-UHFFFAOYSA-N
MW300.83 g/mol
LogP5.28
Rot. Bonds3

About (2-chlorophenyl)-(1-phenylcyclohexyl)methanol

(2-chlorophenyl)-(1-phenylcyclohexyl)methanol (PubChem CID 63414657) has the molecular formula C19H21ClO and a molecular weight of 300.83 g/mol. Its IUPAC name is (2-chlorophenyl)-(1-phenylcyclohexyl)methanol.

Molecular Properties

Compound Name(2-chlorophenyl)-(1-phenylcyclohexyl)methanol
PubChem CID63414657
Molecular FormulaC19H21ClO
Molecular Weight300.83 g/mol
Exact Mass300.13
IUPAC Name(2-chlorophenyl)-(1-phenylcyclohexyl)methanol
SMILESOC(c1ccccc1Cl)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C19H21ClO/c20-17-12-6-5-11-16(17)18(21)19(13-7-2-8-14-19)15-9-3-1-4-10-15/h1,3-6,9-12,18,21H,2,7-8,13-14H2
InChIKeyXKZWPAIEOOQMIA-UHFFFAOYSA-N
XLogP5.28
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 ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,3-dichlorophenyl)-(1-phenylcyclobutyl)methanol
CID 63414305
(2-chloro-5-fluorophenyl)-(1-phenylcyclopropyl)methanol
CID 105394462
1-[(2-chlorophenyl)-hydroxymethyl]cyclohexane-1-carbonitrile
CID 79137313
(3-chlorothiophen-2-yl)-(1-phenylcyclopentyl)methanol
CID 107359518
(2-chlorophenyl)-(1-methoxycyclopentyl)methanol
CID 104610373
(2-chloro-4-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanol
CID 81044939
furan-3-yl-(1-phenylcyclohexyl)methanol
CID 63948757
(2-chlorophenyl)-(1-morpholin-4-ylcyclopentyl)methanol
CID 79060021
(5-fluoro-2-methoxyphenyl)-(1-phenylcyclopropyl)methanol
CID 62881250
1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanol
CID 81129786
(2-ethoxyphenyl)-(1-phenylcyclopropyl)methanol
CID 63079301
(2-chlorophenyl)-(2-methylthiolan-2-yl)methanol
CID 105079871

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(1-phenylcyclohexyl)methanol?
The IUPAC name of (2-chlorophenyl)-(1-phenylcyclohexyl)methanol (CID 63414657) is (2-chlorophenyl)-(1-phenylcyclohexyl)methanol.
What is the SMILES notation for (2-chlorophenyl)-(1-phenylcyclohexyl)methanol?
The canonical SMILES for (2-chlorophenyl)-(1-phenylcyclohexyl)methanol is OC(c1ccccc1Cl)C1(c2ccccc2)CCCCC1.
What is the InChIKey of (2-chlorophenyl)-(1-phenylcyclohexyl)methanol?
The InChIKey is XKZWPAIEOOQMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClO/c20-17-12-6-5-11-16(17)18(21)19(13-7-2-8-14-19)15-9-3-1-4-10-15/h1,3-6,9-12,18,21H,2,7-8,13-14H2.
What are the key properties of (2-chlorophenyl)-(1-phenylcyclohexyl)methanol?
(2-chlorophenyl)-(1-phenylcyclohexyl)methanol has a molecular weight of 300.83 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(1-phenylcyclohexyl)methanol is sourced from PubChem (CID 63414657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).