2-[2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol

C12H15N3O2 — CID 107713246

IUPAC2-[2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
SMILESCn1cc(COc2ccccc2CCO)nn1
InChIInChI=1S/C12H15N3O2/c1-15-8-11(13-14-15)9-17-12-5-3-2-4-10(12)6-7-16/h2-5,8,16H,6-7,9H2,1H3
InChIKeyLCVZXRXZQFVWFM-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.93
Rot. Bonds5

About 2-[2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol

2-[2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol (PubChem CID 107713246) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
PubChem CID107713246
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-[2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
SMILESCn1cc(COc2ccccc2CCO)nn1
InChIInChI=1S/C12H15N3O2/c1-15-8-11(13-14-15)9-17-12-5-3-2-4-10(12)6-7-16/h2-5,8,16H,6-7,9H2,1H3
InChIKeyLCVZXRXZQFVWFM-UHFFFAOYSA-N
XLogP0.93
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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[2-[(1-methyltriazol-4-yl)methoxy]naphthalen-1-yl]methanamine
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2-[2-[[4-(aminomethyl)phenyl]methoxy]phenyl]ethanol
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3-[4-fluoro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]prop-2-yn-1-ol
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2-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
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2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol?
The IUPAC name of 2-[2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol (CID 107713246) is 2-[2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for 2-[2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol?
The canonical SMILES for 2-[2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol is Cn1cc(COc2ccccc2CCO)nn1.
What is the InChIKey of 2-[2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol?
The InChIKey is LCVZXRXZQFVWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-15-8-11(13-14-15)9-17-12-5-3-2-4-10(12)6-7-16/h2-5,8,16H,6-7,9H2,1H3.
What are the key properties of 2-[2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol?
2-[2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol has a molecular weight of 233.27 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 107713246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).