1-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]-1-phenylethanol

C18H19N3O2 — CID 139220303

IUPAC1-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]-1-phenylethanol
SMILESCOc1ccc(Cn2cc(C(C)(O)c3ccccc3)nn2)cc1
InChIInChI=1S/C18H19N3O2/c1-18(22,15-6-4-3-5-7-15)17-13-21(20-19-17)12-14-8-10-16(23-2)11-9-14/h3-11,13,22H,12H2,1-2H3
InChIKeyMBBQFARZNUBCBA-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.59
Rot. Bonds5

About 1-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]-1-phenylethanol

1-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]-1-phenylethanol (PubChem CID 139220303) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]-1-phenylethanol.

Molecular Properties

Compound Name1-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]-1-phenylethanol
PubChem CID139220303
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]-1-phenylethanol
SMILESCOc1ccc(Cn2cc(C(C)(O)c3ccccc3)nn2)cc1
InChIInChI=1S/C18H19N3O2/c1-18(22,15-6-4-3-5-7-15)17-13-21(20-19-17)12-14-8-10-16(23-2)11-9-14/h3-11,13,22H,12H2,1-2H3
InChIKeyMBBQFARZNUBCBA-UHFFFAOYSA-N
XLogP2.59
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
1-[(4-methoxyphenyl)methyl]-N,N-diphenyltriazol-4-amine
CID 177499742
(E)-[2-(1-benzyltriazol-4-yl)propan-2-ylamino]-[2-(4-methoxyphenyl)cyclopenta-2,4-dien-1-ylidene]methanol
CID 164666498
2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propan-2-ol
CID 102031317
N-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)-6-methylbenzamide
CID 102128116
4-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrazole
CID 155787800
tris(1-benzyltriazol-4-yl)methoxyphosphane
CID 70803193
[1-[(4-bromophenyl)methyl]triazol-4-yl]-cyclopenta-1,3-dien-1-yl-phenylmethanol
CID 139220279
4-ethenyl-1-[(4-methoxyphenyl)methyl]triazole
CID 69000286
(4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone
CID 57403942
4-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]triazole
CID 162666489
2-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]isoindole-1,3-dione
CID 134941621

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]-1-phenylethanol?
The IUPAC name of 1-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]-1-phenylethanol (CID 139220303) is 1-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]-1-phenylethanol.
What is the SMILES notation for 1-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]-1-phenylethanol?
The canonical SMILES for 1-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]-1-phenylethanol is COc1ccc(Cn2cc(C(C)(O)c3ccccc3)nn2)cc1.
What is the InChIKey of 1-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]-1-phenylethanol?
The InChIKey is MBBQFARZNUBCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-18(22,15-6-4-3-5-7-15)17-13-21(20-19-17)12-14-8-10-16(23-2)11-9-14/h3-11,13,22H,12H2,1-2H3.
What are the key properties of 1-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]-1-phenylethanol?
1-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]-1-phenylethanol has a molecular weight of 309.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]-1-phenylethanol is sourced from PubChem (CID 139220303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).