1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol

C16H22N2O2 — CID 66152313

IUPAC1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol
SMILESCc1ccc(C(C)O)c(OCc2cncn2C(C)C)c1
InChIInChI=1S/C16H22N2O2/c1-11(2)18-10-17-8-14(18)9-20-16-7-12(3)5-6-15(16)13(4)19/h5-8,10-11,13,19H,9H2,1-4H3
InChIKeyBKHKYNSZQQMORY-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.40
Rot. Bonds5

About 1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol

1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol (PubChem CID 66152313) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol
PubChem CID66152313
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol
SMILESCc1ccc(C(C)O)c(OCc2cncn2C(C)C)c1
InChIInChI=1S/C16H22N2O2/c1-11(2)18-10-17-8-14(18)9-20-16-7-12(3)5-6-15(16)13(4)19/h5-8,10-11,13,19H,9H2,1-4H3
InChIKeyBKHKYNSZQQMORY-UHFFFAOYSA-N
XLogP3.40
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[4-fluoro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol
CID 79027030
1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanone
CID 66154216
(1S)-1-[4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 79000441
(1R)-1-[4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 82002809
2-methyl-3-[(3-propan-2-ylimidazol-4-yl)methoxy]phenol
CID 66154225
5-[(5-bromo-2-methylphenoxy)methyl]-1-propan-2-ylimidazole
CID 107284312
(1R)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-4-methylphenyl]ethanol
CID 55246681
5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-propan-2-ylimidazole
CID 115402091
1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanol
CID 102948379
3-methoxy-4-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid
CID 66154401
[6-methyl-3-[(3-propan-2-ylimidazol-4-yl)methoxy]-2-pyridinyl]methanol
CID 79159019
5-[(2-chlorophenoxy)methyl]-1-propan-2-ylimidazole
CID 66154438

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol (CID 66152313) is 1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol is Cc1ccc(C(C)O)c(OCc2cncn2C(C)C)c1.
What is the InChIKey of 1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol?
The InChIKey is BKHKYNSZQQMORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)18-10-17-8-14(18)9-20-16-7-12(3)5-6-15(16)13(4)19/h5-8,10-11,13,19H,9H2,1-4H3.
What are the key properties of 1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol?
1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol has a molecular weight of 274.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 66152313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).