[1-[(2-chlorophenyl)methyl]-5-(4-methylphenyl)triazol-4-yl]methanol

C17H16ClN3O — CID 94943250

IUPAC[1-[(2-chlorophenyl)methyl]-5-(4-methylphenyl)triazol-4-yl]methanol
SMILESCc1ccc(-c2c(CO)nnn2Cc2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClN3O/c1-12-6-8-13(9-7-12)17-16(11-22)19-20-21(17)10-14-4-2-3-5-15(14)18/h2-9,22H,10-11H2,1H3
InChIKeyGJVMYWFGUJBGCX-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.45
Rot. Bonds4

About [1-[(2-chlorophenyl)methyl]-5-(4-methylphenyl)triazol-4-yl]methanol

[1-[(2-chlorophenyl)methyl]-5-(4-methylphenyl)triazol-4-yl]methanol (PubChem CID 94943250) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]-5-(4-methylphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]-5-(4-methylphenyl)triazol-4-yl]methanol
PubChem CID94943250
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name[1-[(2-chlorophenyl)methyl]-5-(4-methylphenyl)triazol-4-yl]methanol
SMILESCc1ccc(-c2c(CO)nnn2Cc2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClN3O/c1-12-6-8-13(9-7-12)17-16(11-22)19-20-21(17)10-14-4-2-3-5-15(14)18/h2-9,22H,10-11H2,1H3
InChIKeyGJVMYWFGUJBGCX-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methanol
CID 82203213
[1-[(2-chlorophenyl)methyl]-5-methyltriazol-4-yl]methanol
CID 82203375
[1-[(2-chlorophenyl)methyl]-5-(methoxymethyl)triazol-4-yl]methanol
CID 82203421
[1-[(2-chlorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82203445
[1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methanol
CID 94943470
[1-[(4-methylphenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol
CID 82203247
[5-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanol
CID 82204046
[1-(2-ethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol
CID 82195103
[5-(4-methylphenyl)-1-pentyltriazol-4-yl]methanol
CID 82205678
[5-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]triazol-4-yl]methanol
CID 94943324
[1-[(3-chlorophenyl)methyl]-5-(3-methylphenyl)triazol-4-yl]methanol
CID 94943378
5-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]tetrazole
CID 9421897

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]-5-(4-methylphenyl)triazol-4-yl]methanol?
The IUPAC name of [1-[(2-chlorophenyl)methyl]-5-(4-methylphenyl)triazol-4-yl]methanol (CID 94943250) is [1-[(2-chlorophenyl)methyl]-5-(4-methylphenyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]-5-(4-methylphenyl)triazol-4-yl]methanol?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]-5-(4-methylphenyl)triazol-4-yl]methanol is Cc1ccc(-c2c(CO)nnn2Cc2ccccc2Cl)cc1.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]-5-(4-methylphenyl)triazol-4-yl]methanol?
The InChIKey is GJVMYWFGUJBGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-12-6-8-13(9-7-12)17-16(11-22)19-20-21(17)10-14-4-2-3-5-15(14)18/h2-9,22H,10-11H2,1H3.
What are the key properties of [1-[(2-chlorophenyl)methyl]-5-(4-methylphenyl)triazol-4-yl]methanol?
[1-[(2-chlorophenyl)methyl]-5-(4-methylphenyl)triazol-4-yl]methanol has a molecular weight of 313.79 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]-5-(4-methylphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 94943250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).