1-[4-methoxy-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol

C15H21N3O3 — CID 82003529

IUPAC1-[4-methoxy-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol
SMILESCOc1ccc(C(C)O)c(OCc2ncnn2C(C)C)c1
InChIInChI=1S/C15H21N3O3/c1-10(2)18-15(16-9-17-18)8-21-14-7-12(20-4)5-6-13(14)11(3)19/h5-7,9-11,19H,8H2,1-4H3
InChIKeySIPFLVBYGQXMRC-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.50
Rot. Bonds6

About 1-[4-methoxy-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol

1-[4-methoxy-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol (PubChem CID 82003529) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[4-methoxy-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-methoxy-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol
PubChem CID82003529
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-[4-methoxy-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol
SMILESCOc1ccc(C(C)O)c(OCc2ncnn2C(C)C)c1
InChIInChI=1S/C15H21N3O3/c1-10(2)18-15(16-9-17-18)8-21-14-7-12(20-4)5-6-13(14)11(3)19/h5-7,9-11,19H,8H2,1-4H3
InChIKeySIPFLVBYGQXMRC-UHFFFAOYSA-N
XLogP2.50
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82001774
1-[4-methoxy-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanone
CID 82003496
(1S)-1-[4-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 82001017
5-[(3-bromo-4-fluorophenoxy)methyl]-1-propan-2-yl-1,2,4-triazole
CID 83233379
(1R)-1-[2-(2-fluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001883
1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001163
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82001952
(1S)-1-[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol
CID 79013751
(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
CID 82001094
(1S)-1-[2-[(2,5-dimethylpyrazol-3-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82002100
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole
CID 58602880

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[4-methoxy-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol (CID 82003529) is 1-[4-methoxy-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[4-methoxy-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[4-methoxy-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol is COc1ccc(C(C)O)c(OCc2ncnn2C(C)C)c1.
What is the InChIKey of 1-[4-methoxy-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol?
The InChIKey is SIPFLVBYGQXMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(2)18-15(16-9-17-18)8-21-14-7-12(20-4)5-6-13(14)11(3)19/h5-7,9-11,19H,8H2,1-4H3.
What are the key properties of 1-[4-methoxy-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol?
1-[4-methoxy-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol has a molecular weight of 291.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 82003529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).