1-(2-chlorophenyl)-2-(1-methylcyclohexyl)-3-(1,2,4-triazol-1-yl)propan-2-ol

C18H24ClN3O — CID 19811975

IUPAC1-(2-chlorophenyl)-2-(1-methylcyclohexyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESCC1(C(O)(Cc2ccccc2Cl)Cn2cncn2)CCCCC1
InChIInChI=1S/C18H24ClN3O/c1-17(9-5-2-6-10-17)18(23,12-22-14-20-13-21-22)11-15-7-3-4-8-16(15)19/h3-4,7-8,13-14,23H,2,5-6,9-12H2,1H3
InChIKeyFVZFIVRLEBOZSK-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.88
Rot. Bonds5

About 1-(2-chlorophenyl)-2-(1-methylcyclohexyl)-3-(1,2,4-triazol-1-yl)propan-2-ol

1-(2-chlorophenyl)-2-(1-methylcyclohexyl)-3-(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 19811975) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(1-methylcyclohexyl)-3-(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(1-methylcyclohexyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID19811975
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC Name1-(2-chlorophenyl)-2-(1-methylcyclohexyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESCC1(C(O)(Cc2ccccc2Cl)Cn2cncn2)CCCCC1
InChIInChI=1S/C18H24ClN3O/c1-17(9-5-2-6-10-17)18(23,12-22-14-20-13-21-22)11-15-7-3-4-8-16(15)19/h3-4,7-8,13-14,23H,2,5-6,9-12H2,1H3
InChIKeyFVZFIVRLEBOZSK-UHFFFAOYSA-N
XLogP3.88
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloropyridazin-4-yl)-2-(1-methylcyclopropyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 121254759
1-(2-chlorophenyl)-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 163284355
1-[1-(2-fluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-2-yl]cyclopropane-1-carbonitrile
CID 19010587
2-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
CID 71322817
(E)-1-(2-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pent-1-en-3-ol
CID 19994976
4-(4-chlorophenyl)-2-(1-methylsulfanylcyclopropyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 14403431
2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-hydrazinylpropan-2-ol
CID 10912740
1-(2-chlorophenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
CID 12782950
2-(1-chlorocyclopropyl)-1-(2,2-dichloro-1-methylcyclopropyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 71112964
1-(2-chlorophenyl)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
CID 12782960
1-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 70695986
1-[(2-chlorophenyl)methylselanyl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 171351195

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(1-methylcyclohexyl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 1-(2-chlorophenyl)-2-(1-methylcyclohexyl)-3-(1,2,4-triazol-1-yl)propan-2-ol (CID 19811975) is 1-(2-chlorophenyl)-2-(1-methylcyclohexyl)-3-(1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(1-methylcyclohexyl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(2-chlorophenyl)-2-(1-methylcyclohexyl)-3-(1,2,4-triazol-1-yl)propan-2-ol is CC1(C(O)(Cc2ccccc2Cl)Cn2cncn2)CCCCC1.
What is the InChIKey of 1-(2-chlorophenyl)-2-(1-methylcyclohexyl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is FVZFIVRLEBOZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O/c1-17(9-5-2-6-10-17)18(23,12-22-14-20-13-21-22)11-15-7-3-4-8-16(15)19/h3-4,7-8,13-14,23H,2,5-6,9-12H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-(1-methylcyclohexyl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
1-(2-chlorophenyl)-2-(1-methylcyclohexyl)-3-(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 333.86 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(1-methylcyclohexyl)-3-(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 19811975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).