cyclohexyl-(2-phenyl-3-pyridinyl)methanol;hydrochloride

C18H22ClNO — CID 67682911

IUPACcyclohexyl-(2-phenyl-3-pyridinyl)methanol;hydrochloride
SMILESCl.OC(c1cccnc1-c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H21NO.ClH/c20-18(15-10-5-2-6-11-15)16-12-7-13-19-17(16)14-8-3-1-4-9-14;/h1,3-4,7-9,12-13,15,18,20H,2,5-6,10-11H2;1H
InChIKeyUEGPEYRBTFNJFI-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.78
Rot. Bonds3

About cyclohexyl-(2-phenyl-3-pyridinyl)methanol;hydrochloride

cyclohexyl-(2-phenyl-3-pyridinyl)methanol;hydrochloride (PubChem CID 67682911) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is cyclohexyl-(2-phenyl-3-pyridinyl)methanol;hydrochloride.

Molecular Properties

Compound Namecyclohexyl-(2-phenyl-3-pyridinyl)methanol;hydrochloride
PubChem CID67682911
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Namecyclohexyl-(2-phenyl-3-pyridinyl)methanol;hydrochloride
SMILESCl.OC(c1cccnc1-c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H21NO.ClH/c20-18(15-10-5-2-6-11-15)16-12-7-13-19-17(16)14-8-3-1-4-9-14;/h1,3-4,7-9,12-13,15,18,20H,2,5-6,10-11H2;1H
InChIKeyUEGPEYRBTFNJFI-UHFFFAOYSA-N
XLogP4.78
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(R)-cyclopentyl-(2-diphenylphosphanylphenyl)methanol
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CID 93462160
(R)-cyclopentyl-(2-methylphenyl)methanol
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(R)-cyclohexyl-(3,5-diphenylphenyl)methanol
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(S)-cyclopentyl(phenyl)methanol
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(R)-cyclopentyl(phenyl)methanol
CID 38988779
cyclohexyl-[2-(trifluoromethyl)phenyl]methanol
CID 62801472
(5-bromoquinolin-8-yl)-cyclopentylmethanol
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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(2-phenyl-3-pyridinyl)methanol;hydrochloride?
The IUPAC name of cyclohexyl-(2-phenyl-3-pyridinyl)methanol;hydrochloride (CID 67682911) is cyclohexyl-(2-phenyl-3-pyridinyl)methanol;hydrochloride.
What is the SMILES notation for cyclohexyl-(2-phenyl-3-pyridinyl)methanol;hydrochloride?
The canonical SMILES for cyclohexyl-(2-phenyl-3-pyridinyl)methanol;hydrochloride is Cl.OC(c1cccnc1-c1ccccc1)C1CCCCC1.
What is the InChIKey of cyclohexyl-(2-phenyl-3-pyridinyl)methanol;hydrochloride?
The InChIKey is UEGPEYRBTFNJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO.ClH/c20-18(15-10-5-2-6-11-15)16-12-7-13-19-17(16)14-8-3-1-4-9-14;/h1,3-4,7-9,12-13,15,18,20H,2,5-6,10-11H2;1H.
What are the key properties of cyclohexyl-(2-phenyl-3-pyridinyl)methanol;hydrochloride?
cyclohexyl-(2-phenyl-3-pyridinyl)methanol;hydrochloride has a molecular weight of 303.83 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2-phenyl-3-pyridinyl)methanol;hydrochloride is sourced from PubChem (CID 67682911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).