1-(4-chlorophenoxy)-3-(1-ethylimidazol-2-yl)propan-2-ol

C14H17ClN2O2 — CID 105112243

IUPAC1-(4-chlorophenoxy)-3-(1-ethylimidazol-2-yl)propan-2-ol
SMILESCCn1ccnc1CC(O)COc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O2/c1-2-17-8-7-16-14(17)9-12(18)10-19-13-5-3-11(15)4-6-13/h3-8,12,18H,2,9-10H2,1H3
InChIKeySASZSTXIZWRTLL-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.54
Rot. Bonds6

About 1-(4-chlorophenoxy)-3-(1-ethylimidazol-2-yl)propan-2-ol

1-(4-chlorophenoxy)-3-(1-ethylimidazol-2-yl)propan-2-ol (PubChem CID 105112243) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-(1-ethylimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-(1-ethylimidazol-2-yl)propan-2-ol
PubChem CID105112243
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name1-(4-chlorophenoxy)-3-(1-ethylimidazol-2-yl)propan-2-ol
SMILESCCn1ccnc1CC(O)COc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O2/c1-2-17-8-7-16-14(17)9-12(18)10-19-13-5-3-11(15)4-6-13/h3-8,12,18H,2,9-10H2,1H3
InChIKeySASZSTXIZWRTLL-UHFFFAOYSA-N
XLogP2.54
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenoxy)-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 105167751
N-ethyl-1-(1-ethylimidazol-2-yl)-3-phenoxypropan-2-amine
CID 79751835
1-(2,3-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol
CID 115819194
1-(4-chlorophenoxy)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol
CID 105109545
1-(4-chlorophenoxy)-3-(3,5-dimethylphenyl)propan-2-ol
CID 105079601
1-(1-ethylimidazol-2-yl)-3-methylpentan-2-ol
CID 79744876
1-(5-chlorothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol
CID 79744784
(1S)-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]propan-1-ol
CID 78932314
5-ethoxy-1-(1-ethylimidazol-2-yl)pentan-2-ol
CID 105112379
1-(1-ethylimidazol-2-yl)-3-naphthalen-2-ylpropan-2-ol
CID 105112307
1-(4-chlorophenoxy)-3-(4-methylphenyl)propan-2-ol
CID 105077329
1-(3,5-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol
CID 79753096

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-(1-ethylimidazol-2-yl)propan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-3-(1-ethylimidazol-2-yl)propan-2-ol (CID 105112243) is 1-(4-chlorophenoxy)-3-(1-ethylimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-(1-ethylimidazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-3-(1-ethylimidazol-2-yl)propan-2-ol is CCn1ccnc1CC(O)COc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-(1-ethylimidazol-2-yl)propan-2-ol?
The InChIKey is SASZSTXIZWRTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-2-17-8-7-16-14(17)9-12(18)10-19-13-5-3-11(15)4-6-13/h3-8,12,18H,2,9-10H2,1H3.
What are the key properties of 1-(4-chlorophenoxy)-3-(1-ethylimidazol-2-yl)propan-2-ol?
1-(4-chlorophenoxy)-3-(1-ethylimidazol-2-yl)propan-2-ol has a molecular weight of 280.75 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-(1-ethylimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 105112243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).