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

C12H14ClN3O2 — CID 82203421

IUPAC[1-[(2-chlorophenyl)methyl]-5-(methoxymethyl)triazol-4-yl]methanol
SMILESCOCc1c(CO)nnn1Cc1ccccc1Cl
InChIInChI=1S/C12H14ClN3O2/c1-18-8-12-11(7-17)14-15-16(12)6-9-4-2-3-5-10(9)13/h2-5,17H,6-8H2,1H3
InChIKeyFXVSJRSKAWLADX-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.62
Rot. Bonds5

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

[1-[(2-chlorophenyl)methyl]-5-(methoxymethyl)triazol-4-yl]methanol (PubChem CID 82203421) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]-5-(methoxymethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]-5-(methoxymethyl)triazol-4-yl]methanol
PubChem CID82203421
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name[1-[(2-chlorophenyl)methyl]-5-(methoxymethyl)triazol-4-yl]methanol
SMILESCOCc1c(CO)nnn1Cc1ccccc1Cl
InChIInChI=1S/C12H14ClN3O2/c1-18-8-12-11(7-17)14-15-16(12)6-9-4-2-3-5-10(9)13/h2-5,17H,6-8H2,1H3
InChIKeyFXVSJRSKAWLADX-UHFFFAOYSA-N
XLogP1.62
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(2-chlorophenyl)methyl]-5-methyltriazol-4-yl]methanol
CID 82203375
[1-[(2-chlorophenyl)methyl]-5-(4-methylphenyl)triazol-4-yl]methanol
CID 94943250
1-[(2-chlorophenyl)methyl]-5-ethyltriazol-4-amine
CID 79542823
ethyl 5-(chloromethyl)-1-[(2-chlorophenyl)methyl]triazole-4-carboxylate
CID 103109438
[5-[(2-chlorophenoxy)methyl]-1-prop-2-enyltriazol-4-yl]methanol
CID 82204645
[5-chloro-1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanol
CID 115068574
1-[(2-chlorophenyl)methyl]-5-methoxytriazole-4-carboxylic acid;hydrochloride
CID 70416302
[5-butyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol
CID 82203789
1-[(2-chlorophenyl)methyl]-5-methyltriazole-4-carbaldehyde
CID 82203377
[1-[(2-chlorophenyl)methyl]-5-methyltriazol-4-yl] hydrogen carbonate
CID 70516745
4-amino-2-[(2-chlorophenyl)methyl]-5-(methoxymethyl)-1-methylpyrazol-3-one
CID 63276802
5-(methoxymethyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxylic acid
CID 82202427

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]-5-(methoxymethyl)triazol-4-yl]methanol?
The IUPAC name of [1-[(2-chlorophenyl)methyl]-5-(methoxymethyl)triazol-4-yl]methanol (CID 82203421) is [1-[(2-chlorophenyl)methyl]-5-(methoxymethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]-5-(methoxymethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]-5-(methoxymethyl)triazol-4-yl]methanol is COCc1c(CO)nnn1Cc1ccccc1Cl.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]-5-(methoxymethyl)triazol-4-yl]methanol?
The InChIKey is FXVSJRSKAWLADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-18-8-12-11(7-17)14-15-16(12)6-9-4-2-3-5-10(9)13/h2-5,17H,6-8H2,1H3.
What are the key properties of [1-[(2-chlorophenyl)methyl]-5-(methoxymethyl)triazol-4-yl]methanol?
[1-[(2-chlorophenyl)methyl]-5-(methoxymethyl)triazol-4-yl]methanol has a molecular weight of 267.72 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]-5-(methoxymethyl)triazol-4-yl]methanol is sourced from PubChem (CID 82203421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).