[5-(3-chlorophenyl)-1-(2-ethylphenyl)triazol-4-yl]methanol

C17H16ClN3O — CID 94935756

IUPAC[5-(3-chlorophenyl)-1-(2-ethylphenyl)triazol-4-yl]methanol
SMILESCCc1ccccc1-n1nnc(CO)c1-c1cccc(Cl)c1
InChIInChI=1S/C17H16ClN3O/c1-2-12-6-3-4-9-16(12)21-17(15(11-22)19-20-21)13-7-5-8-14(18)10-13/h3-10,22H,2,11H2,1H3
InChIKeyAXXBMMGYFUSUFI-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.64
Rot. Bonds4

About [5-(3-chlorophenyl)-1-(2-ethylphenyl)triazol-4-yl]methanol

[5-(3-chlorophenyl)-1-(2-ethylphenyl)triazol-4-yl]methanol (PubChem CID 94935756) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is [5-(3-chlorophenyl)-1-(2-ethylphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(3-chlorophenyl)-1-(2-ethylphenyl)triazol-4-yl]methanol
PubChem CID94935756
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name[5-(3-chlorophenyl)-1-(2-ethylphenyl)triazol-4-yl]methanol
SMILESCCc1ccccc1-n1nnc(CO)c1-c1cccc(Cl)c1
InChIInChI=1S/C17H16ClN3O/c1-2-12-6-3-4-9-16(12)21-17(15(11-22)19-20-21)13-7-5-8-14(18)10-13/h3-10,22H,2,11H2,1H3
InChIKeyAXXBMMGYFUSUFI-UHFFFAOYSA-N
XLogP3.64
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-ethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol
CID 82195103
[5-(3-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanol
CID 56769387
4-(chloromethyl)-5-(3-chlorophenyl)-1-(2-methoxyphenyl)triazole
CID 56769704
[5-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-yl]methanol
CID 56769403
[5-(3-chlorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanol
CID 82210758
5-[4-(hydroxymethyl)-5-phenyltriazol-1-yl]naphthalen-1-ol
CID 94938110
[1-(4-chlorophenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol
CID 82200781
3-[5-(3-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]propane-1,2-diol
CID 82210298
[1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanol
CID 82196326
[5-(3,5-difluorophenyl)-1-(2-methylphenyl)triazol-4-yl]methanol
CID 56769489
[5-(3-chlorophenyl)-1-(3-methoxyphenyl)triazol-4-yl]methanamine
CID 94937736
[1-[(3-chlorophenyl)methyl]-5-(3-methylphenyl)triazol-4-yl]methanol
CID 94943378

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)-1-(2-ethylphenyl)triazol-4-yl]methanol?
The IUPAC name of [5-(3-chlorophenyl)-1-(2-ethylphenyl)triazol-4-yl]methanol (CID 94935756) is [5-(3-chlorophenyl)-1-(2-ethylphenyl)triazol-4-yl]methanol.
What is the SMILES notation for [5-(3-chlorophenyl)-1-(2-ethylphenyl)triazol-4-yl]methanol?
The canonical SMILES for [5-(3-chlorophenyl)-1-(2-ethylphenyl)triazol-4-yl]methanol is CCc1ccccc1-n1nnc(CO)c1-c1cccc(Cl)c1.
What is the InChIKey of [5-(3-chlorophenyl)-1-(2-ethylphenyl)triazol-4-yl]methanol?
The InChIKey is AXXBMMGYFUSUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-2-12-6-3-4-9-16(12)21-17(15(11-22)19-20-21)13-7-5-8-14(18)10-13/h3-10,22H,2,11H2,1H3.
What are the key properties of [5-(3-chlorophenyl)-1-(2-ethylphenyl)triazol-4-yl]methanol?
[5-(3-chlorophenyl)-1-(2-ethylphenyl)triazol-4-yl]methanol has a molecular weight of 313.79 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)-1-(2-ethylphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 94935756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).