2-[(3-chlorophenyl)methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol

C15H20ClN3O — CID 66060581

IUPAC2-[(3-chlorophenyl)methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
SMILESCC(C)n1ncnc1CC(CO)Cc1cccc(Cl)c1
InChIInChI=1S/C15H20ClN3O/c1-11(2)19-15(17-10-18-19)8-13(9-20)6-12-4-3-5-14(16)7-12/h3-5,7,10-11,13,20H,6,8-9H2,1-2H3
InChIKeyYGBUAQSIBZCYAE-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.91
Rot. Bonds6

About 2-[(3-chlorophenyl)methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol

2-[(3-chlorophenyl)methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol (PubChem CID 66060581) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
PubChem CID66060581
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name2-[(3-chlorophenyl)methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
SMILESCC(C)n1ncnc1CC(CO)Cc1cccc(Cl)c1
InChIInChI=1S/C15H20ClN3O/c1-11(2)19-15(17-10-18-19)8-13(9-20)6-12-4-3-5-14(16)7-12/h3-5,7,10-11,13,20H,6,8-9H2,1-2H3
InChIKeyYGBUAQSIBZCYAE-UHFFFAOYSA-N
XLogP2.91
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenoxy)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one
CID 105110355
2-[(3-fluorophenyl)methyl]-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol
CID 66057605
2-[(3-chlorophenyl)methyl]-4-methoxybutan-1-ol
CID 66057400
1-(3-chlorophenyl)sulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one
CID 66146821
2-[(3-chlorophenyl)methyl]-3-(5-fluoro-2-methylphenyl)propan-1-ol
CID 105375957
[1-(3-methylphenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105209011
2-[(3-chlorophenyl)methyl]-4-(3-methylbutoxy)butan-1-ol
CID 66058445
tert-butyl N-[2-(hydroxymethyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propyl]carbamate
CID 106508993
(2S)-2-[(3-chlorophenyl)methyl]hexane-1,6-diol
CID 172914223
1-(2,6-difluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 115813882
1-[3-(difluoromethoxy)phenyl]-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999820
[1-(2,4-dichlorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105200215

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol (CID 66060581) is 2-[(3-chlorophenyl)methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol is CC(C)n1ncnc1CC(CO)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol?
The InChIKey is YGBUAQSIBZCYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-11(2)19-15(17-10-18-19)8-13(9-20)6-12-4-3-5-14(16)7-12/h3-5,7,10-11,13,20H,6,8-9H2,1-2H3.
What are the key properties of 2-[(3-chlorophenyl)methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol?
2-[(3-chlorophenyl)methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol has a molecular weight of 293.80 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol is sourced from PubChem (CID 66060581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).