1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-1-ol

C15H20N2O2 — CID 61493838

IUPAC1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-1-ol
SMILESCCC(O)c1ccc(OCCn2ccnc2C)cc1
InChIInChI=1S/C15H20N2O2/c1-3-15(18)13-4-6-14(7-5-13)19-11-10-17-9-8-16-12(17)2/h4-9,15,18H,3,10-11H2,1-2H3
InChIKeyKURLAKRFBDMVMU-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.71
Rot. Bonds6

About 1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-1-ol

1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-1-ol (PubChem CID 61493838) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-1-ol
PubChem CID61493838
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-1-ol
SMILESCCC(O)c1ccc(OCCn2ccnc2C)cc1
InChIInChI=1S/C15H20N2O2/c1-3-15(18)13-4-6-14(7-5-13)19-11-10-17-9-8-16-12(17)2/h4-9,15,18H,3,10-11H2,1-2H3
InChIKeyKURLAKRFBDMVMU-UHFFFAOYSA-N
XLogP2.71
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole
CID 887351
(1S)-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]propan-1-ol
CID 78932314
(1S)-1-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol
CID 55191298
1-[4-(4-chlorophenoxy)phenyl]-4-(2-methylimidazol-1-yl)butan-1-ol
CID 70525917
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol
CID 78933445
N-methyl-1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-2-amine
CID 115494840
(1S)-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propan-1-ol
CID 82891639
(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
CID 78932191
1-ethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]pyrazole
CID 116804692
1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-ol
CID 60891122
(1R)-1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-ol
CID 63365438

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-1-ol?
The IUPAC name of 1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-1-ol (CID 61493838) is 1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-1-ol.
What is the SMILES notation for 1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-1-ol?
The canonical SMILES for 1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-1-ol is CCC(O)c1ccc(OCCn2ccnc2C)cc1.
What is the InChIKey of 1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-1-ol?
The InChIKey is KURLAKRFBDMVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-15(18)13-4-6-14(7-5-13)19-11-10-17-9-8-16-12(17)2/h4-9,15,18H,3,10-11H2,1-2H3.
What are the key properties of 1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-1-ol?
1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-1-ol has a molecular weight of 260.34 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-1-ol is sourced from PubChem (CID 61493838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).