1-(3-methoxyphenyl)-2-(4-methyltriazol-1-yl)ethanol

C12H15N3O2 — CID 167807603

IUPAC1-(3-methoxyphenyl)-2-(4-methyltriazol-1-yl)ethanol
SMILESCOc1cccc(C(O)Cn2cc(C)nn2)c1
InChIInChI=1S/C12H15N3O2/c1-9-7-15(14-13-9)8-12(16)10-4-3-5-11(6-10)17-2/h3-7,12,16H,8H2,1-2H3
InChIKeyZYUCLXHOSXTXKH-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.33
Rot. Bonds4

About 1-(3-methoxyphenyl)-2-(4-methyltriazol-1-yl)ethanol

1-(3-methoxyphenyl)-2-(4-methyltriazol-1-yl)ethanol (PubChem CID 167807603) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(4-methyltriazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(4-methyltriazol-1-yl)ethanol
PubChem CID167807603
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-(3-methoxyphenyl)-2-(4-methyltriazol-1-yl)ethanol
SMILESCOc1cccc(C(O)Cn2cc(C)nn2)c1
InChIInChI=1S/C12H15N3O2/c1-9-7-15(14-13-9)8-12(16)10-4-3-5-11(6-10)17-2/h3-7,12,16H,8H2,1-2H3
InChIKeyZYUCLXHOSXTXKH-UHFFFAOYSA-N
XLogP1.33
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-2-[4-[4-(aminooxymethyl)phenyl]triazol-1-yl]-1-(3-methoxyphenyl)ethanol
CID 134927347
methyl 1-[2-hydroxy-2-(3-methylphenyl)ethyl]triazole-4-carboxylate
CID 56771380
2-(1,3-dihydroisoindol-2-yl)-1-(3-methoxyphenyl)ethanol
CID 62231335
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
1-(3-methoxyphenyl)butan-1-ol
CID 2793894
1-(3-methoxyphenyl)-2-(2-phenylimidazol-1-yl)ethanol
CID 110907755
5-(aminomethyl)-1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]triazole-4-carboxylic acid
CID 103121505
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 112706792
2-(1-ethylpyrazol-4-yl)oxy-1-(3-methoxyphenyl)ethanol
CID 116802474
1-(3-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanol
CID 110885117
1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol
CID 63892362
1-(3-methoxyphenyl)pentane-1,4-diol
CID 81134047

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(4-methyltriazol-1-yl)ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-(4-methyltriazol-1-yl)ethanol (CID 167807603) is 1-(3-methoxyphenyl)-2-(4-methyltriazol-1-yl)ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(4-methyltriazol-1-yl)ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(4-methyltriazol-1-yl)ethanol is COc1cccc(C(O)Cn2cc(C)nn2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(4-methyltriazol-1-yl)ethanol?
The InChIKey is ZYUCLXHOSXTXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9-7-15(14-13-9)8-12(16)10-4-3-5-11(6-10)17-2/h3-7,12,16H,8H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-2-(4-methyltriazol-1-yl)ethanol?
1-(3-methoxyphenyl)-2-(4-methyltriazol-1-yl)ethanol has a molecular weight of 233.27 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-(4-methyltriazol-1-yl)ethanol is sourced from PubChem (CID 167807603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).