1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-4-methoxyphenyl]ethanol

C14H19N3O3 — CID 82001774

IUPAC1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-4-methoxyphenyl]ethanol
SMILESCCn1ncnc1COc1cc(OC)ccc1C(C)O
InChIInChI=1S/C14H19N3O3/c1-4-17-14(15-9-16-17)8-20-13-7-11(19-3)5-6-12(13)10(2)18/h5-7,9-10,18H,4,8H2,1-3H3
InChIKeyNUTZCDXZFZXGCT-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.94
Rot. Bonds6

About 1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-4-methoxyphenyl]ethanol

1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-4-methoxyphenyl]ethanol (PubChem CID 82001774) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-4-methoxyphenyl]ethanol.

Molecular Properties

Compound Name1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-4-methoxyphenyl]ethanol
PubChem CID82001774
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-4-methoxyphenyl]ethanol
SMILESCCn1ncnc1COc1cc(OC)ccc1C(C)O
InChIInChI=1S/C14H19N3O3/c1-4-17-14(15-9-16-17)8-20-13-7-11(19-3)5-6-12(13)10(2)18/h5-7,9-10,18H,4,8H2,1-3H3
InChIKeyNUTZCDXZFZXGCT-UHFFFAOYSA-N
XLogP1.94
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-methoxy-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol
CID 82003529
(1S)-1-[4-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-2-fluorophenyl]ethanol
CID 107720517
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82001952
(1S)-1-[4-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 82001017
(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
CID 82001094
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
1-(2-heptoxy-4-methoxyphenyl)ethanol
CID 82001545
(1S)-1-[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol
CID 79013751
(1S)-1-[2-[(2,5-dimethylpyrazol-3-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82002100
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol
CID 82001084
(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82003422

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-4-methoxyphenyl]ethanol?
The IUPAC name of 1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-4-methoxyphenyl]ethanol (CID 82001774) is 1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-4-methoxyphenyl]ethanol.
What is the SMILES notation for 1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-4-methoxyphenyl]ethanol?
The canonical SMILES for 1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-4-methoxyphenyl]ethanol is CCn1ncnc1COc1cc(OC)ccc1C(C)O.
What is the InChIKey of 1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-4-methoxyphenyl]ethanol?
The InChIKey is NUTZCDXZFZXGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-4-17-14(15-9-16-17)8-20-13-7-11(19-3)5-6-12(13)10(2)18/h5-7,9-10,18H,4,8H2,1-3H3.
What are the key properties of 1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-4-methoxyphenyl]ethanol?
1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-4-methoxyphenyl]ethanol has a molecular weight of 277.32 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-4-methoxyphenyl]ethanol is sourced from PubChem (CID 82001774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).