[1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)triazol-4-yl]methanol

C17H16FN3O2 — CID 94943302

IUPAC[1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)triazol-4-yl]methanol
SMILESCOc1ccc(-c2c(CO)nnn2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FN3O2/c1-23-15-8-4-13(5-9-15)17-16(11-22)19-20-21(17)10-12-2-6-14(18)7-3-12/h2-9,22H,10-11H2,1H3
InChIKeyWLLUPIWZAXNNRR-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.63
Rot. Bonds5

About [1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)triazol-4-yl]methanol

[1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)triazol-4-yl]methanol (PubChem CID 94943302) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)triazol-4-yl]methanol
PubChem CID94943302
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name[1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)triazol-4-yl]methanol
SMILESCOc1ccc(-c2c(CO)nnn2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FN3O2/c1-23-15-8-4-13(5-9-15)17-16(11-22)19-20-21(17)10-12-2-6-14(18)7-3-12/h2-9,22H,10-11H2,1H3
InChIKeyWLLUPIWZAXNNRR-UHFFFAOYSA-N
XLogP2.63
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]triazol-4-yl]methanol
CID 94943324
5-bromo-4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]triazole
CID 166068450
[1-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methanol
CID 82203213
[5-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203283
4-(4-fluorophenyl)-6-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one
CID 86715312
[5-(4-fluorophenyl)-1-heptyltriazol-4-yl]methanol
CID 82208048
[4-[5-[2-(diethylamino)ethyl]-3-[(4-methylphenyl)methyl]triazol-4-yl]phenyl]-(4-methoxyphenyl)methanone
CID 145299990
methyl 5-(chloromethyl)-3-[(4-methoxyphenyl)methyl]triazole-4-carboxylate
CID 155422677
[1-[(4-methylphenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol
CID 82203247
[1-[(3-fluorophenyl)methyl]-5-(3-methoxyphenyl)triazol-4-yl]methanamine
CID 94946400
1-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfanylmethyl]tetrazole
CID 42691330
[5-(4-methoxyphenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanamine
CID 94943636

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)triazol-4-yl]methanol?
The IUPAC name of [1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)triazol-4-yl]methanol (CID 94943302) is [1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)triazol-4-yl]methanol?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)triazol-4-yl]methanol is COc1ccc(-c2c(CO)nnn2Cc2ccc(F)cc2)cc1.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)triazol-4-yl]methanol?
The InChIKey is WLLUPIWZAXNNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-23-15-8-4-13(5-9-15)17-16(11-22)19-20-21(17)10-12-2-6-14(18)7-3-12/h2-9,22H,10-11H2,1H3.
What are the key properties of [1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)triazol-4-yl]methanol?
[1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)triazol-4-yl]methanol has a molecular weight of 313.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 94943302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).