1-(2,6-dichlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-ol

C12H13Cl2N3O — CID 107047739

IUPAC1-(2,6-dichlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-ol
SMILESCn1cc(CC(O)Cc2c(Cl)cccc2Cl)nn1
InChIInChI=1S/C12H13Cl2N3O/c1-17-7-8(15-16-17)5-9(18)6-10-11(13)3-2-4-12(10)14/h2-4,7,9,18H,5-6H2,1H3
InChIKeyACHMTQOWTMVFBA-UHFFFAOYSA-N
MW286.16 g/mol
LogP2.27
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-ol

1-(2,6-dichlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-ol (PubChem CID 107047739) has the molecular formula C12H13Cl2N3O and a molecular weight of 286.16 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-ol
PubChem CID107047739
Molecular FormulaC12H13Cl2N3O
Molecular Weight286.16 g/mol
Exact Mass285.04
IUPAC Name1-(2,6-dichlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-ol
SMILESCn1cc(CC(O)Cc2c(Cl)cccc2Cl)nn1
InChIInChI=1S/C12H13Cl2N3O/c1-17-7-8(15-16-17)5-9(18)6-10-11(13)3-2-4-12(10)14/h2-4,7,9,18H,5-6H2,1H3
InChIKeyACHMTQOWTMVFBA-UHFFFAOYSA-N
XLogP2.27
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063926
1-(1-methyltriazol-4-yl)pentan-2-ol
CID 107045999
1-(4-methoxyphenyl)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107047720
1-(2,3-dichlorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064418
1-(1-methyltriazol-4-yl)hexan-2-ol
CID 107046013
4-methoxy-1-(1-methyltriazol-4-yl)butan-2-ol
CID 107047724
2-[(2-chlorophenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107052828
2-(2-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053484
1-(5-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045954
(2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid
CID 124681337
1-(2,6-dichlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-ol
CID 62125731
1-(4-methylphenyl)sulfanyl-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107047903

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-ol?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-ol (CID 107047739) is 1-(2,6-dichlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-ol is Cn1cc(CC(O)Cc2c(Cl)cccc2Cl)nn1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-ol?
The InChIKey is ACHMTQOWTMVFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O/c1-17-7-8(15-16-17)5-9(18)6-10-11(13)3-2-4-12(10)14/h2-4,7,9,18H,5-6H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-ol?
1-(2,6-dichlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-ol has a molecular weight of 286.16 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-ol is sourced from PubChem (CID 107047739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).