(2,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanol

C15H11Cl2N3O — CID 53244245

IUPAC(2,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanol
SMILESOC(c1cn(-c2ccccc2)nn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2N3O/c16-10-6-7-12(13(17)8-10)15(21)14-9-20(19-18-14)11-4-2-1-3-5-11/h1-9,15,21H
InChIKeyMRLRYCFUKLBMHD-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.66
Rot. Bonds3

About (2,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanol

(2,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanol (PubChem CID 53244245) has the molecular formula C15H11Cl2N3O and a molecular weight of 320.18 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanol
PubChem CID53244245
Molecular FormulaC15H11Cl2N3O
Molecular Weight320.18 g/mol
Exact Mass319.03
IUPAC Name(2,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanol
SMILESOC(c1cn(-c2ccccc2)nn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2N3O/c16-10-6-7-12(13(17)8-10)15(21)14-9-20(19-18-14)11-4-2-1-3-5-11/h1-9,15,21H
InChIKeyMRLRYCFUKLBMHD-UHFFFAOYSA-N
XLogP3.66
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dichlorophenyl)-(1-methyltriazol-4-yl)methanol
CID 166178328
4-(1-chloroethyl)-1-phenyltriazole
CID 71756176
(2,4-dichlorophenyl)-(6-methyl-2-pyridinyl)methanol
CID 114281098
5-chloro-2-[1-(1-phenyltriazol-4-yl)ethylamino]benzonitrile
CID 133365505
N-[(2,4-dichlorophenyl)methoxy]-1-(1-phenyltriazol-4-yl)methanimine
CID 5142873
4-[4-[(R)-hydroxy(phenyl)methyl]triazol-1-yl]benzonitrile
CID 155935300
(2,4-dichlorophenyl)-(6-methoxypyridazin-3-yl)methanol
CID 166178487
[1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]triazol-4-yl]-(2,4-dichlorophenyl)methanol
CID 142507762
(2,4-dichlorophenyl)-pyrazin-2-ylmethanol
CID 63970677
N-(2-amino-6-chloro-3-pyridinyl)-2-[4-[(2,4-dichlorophenyl)-hydroxymethyl]triazol-1-yl]acetamide
CID 142507859
(2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol
CID 63427541
(2-chloro-4-fluorophenyl)-(2-phenylpyrazol-3-yl)methanol
CID 107330323

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanol?
The IUPAC name of (2,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanol (CID 53244245) is (2,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanol.
What is the SMILES notation for (2,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanol?
The canonical SMILES for (2,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanol is OC(c1cn(-c2ccccc2)nn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanol?
The InChIKey is MRLRYCFUKLBMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O/c16-10-6-7-12(13(17)8-10)15(21)14-9-20(19-18-14)11-4-2-1-3-5-11/h1-9,15,21H.
What are the key properties of (2,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanol?
(2,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanol has a molecular weight of 320.18 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanol is sourced from PubChem (CID 53244245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).