1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol

C15H18N2O2 — CID 66154264

IUPAC1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol
SMILESCC(O)c1cccc(OCc2cncn2C2CC2)c1
InChIInChI=1S/C15H18N2O2/c1-11(18)12-3-2-4-15(7-12)19-9-14-8-16-10-17(14)13-5-6-13/h2-4,7-8,10-11,13,18H,5-6,9H2,1H3
InChIKeyVDUQDQWUTAYOBE-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.85
Rot. Bonds5

About 1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol

1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol (PubChem CID 66154264) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol
PubChem CID66154264
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol
SMILESCC(O)c1cccc(OCc2cncn2C2CC2)c1
InChIInChI=1S/C15H18N2O2/c1-11(18)12-3-2-4-15(7-12)19-9-14-8-16-10-17(14)13-5-6-13/h2-4,7-8,10-11,13,18H,5-6,9H2,1H3
InChIKeyVDUQDQWUTAYOBE-UHFFFAOYSA-N
XLogP2.85
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[5-chloro-2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol
CID 66154464
(1R)-1-[3-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 79025674
4-[(3-cyclopropylimidazol-4-yl)methoxy]aniline
CID 66152915
5-[(3-cyclopropylimidazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683380
5-[(4-bromo-3-fluorophenoxy)methyl]-1-cyclopropylimidazole
CID 66152904
(1S)-1-[3-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66139527
5-[(3-cyclopropylimidazol-4-yl)methoxy]-1H-indole
CID 80641562
(1S)-1-[3-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66152982
(1R)-1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxyphenyl]ethanamine
CID 82000083
1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-ethylethanamine
CID 66152900
2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxybenzoic acid
CID 66153089
(1R)-1-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanol
CID 63365604

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol (CID 66154264) is 1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol is CC(O)c1cccc(OCc2cncn2C2CC2)c1.
What is the InChIKey of 1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol?
The InChIKey is VDUQDQWUTAYOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(18)12-3-2-4-15(7-12)19-9-14-8-16-10-17(14)13-5-6-13/h2-4,7-8,10-11,13,18H,5-6,9H2,1H3.
What are the key properties of 1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol?
1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol has a molecular weight of 258.32 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 66154264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).