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

C14H16ClN3O — CID 163284355

IUPAC1-(2-chlorophenyl)-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(Cc1ccccc1Cl)(Cn1cncn1)C1CC1
InChIInChI=1S/C14H16ClN3O/c15-13-4-2-1-3-11(13)7-14(19,12-5-6-12)8-18-10-16-9-17-18/h1-4,9-10,12,19H,5-8H2
InChIKeyZGLHWOMDPUUVET-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.32
Rot. Bonds5

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

1-(2-chlorophenyl)-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 163284355) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID163284355
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name1-(2-chlorophenyl)-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(Cc1ccccc1Cl)(Cn1cncn1)C1CC1
InChIInChI=1S/C14H16ClN3O/c15-13-4-2-1-3-11(13)7-14(19,12-5-6-12)8-18-10-16-9-17-18/h1-4,9-10,12,19H,5-8H2
InChIKeyZGLHWOMDPUUVET-UHFFFAOYSA-N
XLogP2.32
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-2-(1-methylcyclohexyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 19811975
2-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
CID 71322817
3-chloro-4-[1-cyclopropyl-1-hydroxy-2-(1,2,4-triazol-1-yl)ethyl]phenol
CID 118560094
1-(2-chlorophenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
CID 12782950
1-[(2-chlorophenyl)methylselanyl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 171351195
(E)-1-(2-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pent-1-en-3-ol
CID 19994976
1-[(2-chlorophenyl)methylamino]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 56966763
1-[2-chloro-4-(4-methylphenyl)phenyl]-1-cyclopropyl-2-(1,2,4-triazol-1-yl)ethanol
CID 118528634
1-(2-chloro-4-thiophen-2-ylphenyl)-1-cyclopropyl-2-(1,2,4-triazol-1-yl)ethanol
CID 90242659
1-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 70695986
2-(4-chlorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol;hydrate
CID 70527557
1-(2-chlorophenyl)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
CID 12782960

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 1-(2-chlorophenyl)-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propan-2-ol (CID 163284355) is 1-(2-chlorophenyl)-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(2-chlorophenyl)-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propan-2-ol is OC(Cc1ccccc1Cl)(Cn1cncn1)C1CC1.
What is the InChIKey of 1-(2-chlorophenyl)-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is ZGLHWOMDPUUVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-13-4-2-1-3-11(13)7-14(19,12-5-6-12)8-18-10-16-9-17-18/h1-4,9-10,12,19H,5-8H2.
What are the key properties of 1-(2-chlorophenyl)-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propan-2-ol?
1-(2-chlorophenyl)-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 277.75 g/mol, XLogP of 2.32, 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-cyclopropyl-3-(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 163284355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).