[1-(3-methoxyphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol

C17H17N3O3 — CID 94937701

IUPAC[1-(3-methoxyphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
SMILESCOc1cccc(-n2nnc(CO)c2COc2ccccc2)c1
InChIInChI=1S/C17H17N3O3/c1-22-15-9-5-6-13(10-15)20-17(16(11-21)18-19-20)12-23-14-7-3-2-4-8-14/h2-10,21H,11-12H2,1H3
InChIKeyOPRPFIMTQPAEAC-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.35
Rot. Bonds6

About [1-(3-methoxyphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol

[1-(3-methoxyphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol (PubChem CID 94937701) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is [1-(3-methoxyphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-methoxyphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
PubChem CID94937701
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name[1-(3-methoxyphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
SMILESCOc1cccc(-n2nnc(CO)c2COc2ccccc2)c1
InChIInChI=1S/C17H17N3O3/c1-22-15-9-5-6-13(10-15)20-17(16(11-21)18-19-20)12-23-14-7-3-2-4-8-14/h2-10,21H,11-12H2,1H3
InChIKeyOPRPFIMTQPAEAC-UHFFFAOYSA-N
XLogP2.35
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(3-fluorophenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
CID 82197074
[1-(3,4-dimethylphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
CID 94936961
[1-(2-methylphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
CID 82198228
[1-(3-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanol
CID 56686728
[1-(3-methoxyphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol
CID 56769452
[5-[(3-methoxyphenoxy)methyl]-1-(2-methylprop-2-enyl)triazol-4-yl]methanol
CID 82210785
5-benzyl-1-(3-methoxyphenyl)triazole-4-carboxylic acid
CID 94940493
[5-(methoxymethyl)-1-(3-nitrophenyl)triazol-4-yl]methanol
CID 82200083
[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine
CID 28911796
4-(chloromethyl)-1-(3-methoxyphenyl)-5-(4-methoxyphenyl)triazole
CID 56769684
1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]propan-1-one
CID 107431322
5-ethyl-N-(3-methoxyphenyl)-1-phenyltriazole-4-carboxamide
CID 15944215

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxyphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol?
The IUPAC name of [1-(3-methoxyphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol (CID 94937701) is [1-(3-methoxyphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(3-methoxyphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(3-methoxyphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol is COc1cccc(-n2nnc(CO)c2COc2ccccc2)c1.
What is the InChIKey of [1-(3-methoxyphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol?
The InChIKey is OPRPFIMTQPAEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-22-15-9-5-6-13(10-15)20-17(16(11-21)18-19-20)12-23-14-7-3-2-4-8-14/h2-10,21H,11-12H2,1H3.
What are the key properties of [1-(3-methoxyphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol?
[1-(3-methoxyphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol has a molecular weight of 311.34 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxyphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol is sourced from PubChem (CID 94937701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).