1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanone

C15H18N2O3 — CID 82001062

IUPAC1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)c(OCCCn2ccnc2)c1
InChIInChI=1S/C15H18N2O3/c1-12(18)14-5-4-13(19-2)10-15(14)20-9-3-7-17-8-6-16-11-17/h4-6,8,10-11H,3,7,9H2,1-2H3
InChIKeyPMVVLNFHJLWZCU-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.56
Rot. Bonds7

About 1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanone

1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanone (PubChem CID 82001062) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanone
PubChem CID82001062
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)c(OCCCn2ccnc2)c1
InChIInChI=1S/C15H18N2O3/c1-12(18)14-5-4-13(19-2)10-15(14)20-9-3-7-17-8-6-16-11-17/h4-6,8,10-11H,3,7,9H2,1-2H3
InChIKeyPMVVLNFHJLWZCU-UHFFFAOYSA-N
XLogP2.56
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanol
CID 82001092
1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole
CID 19378833
1-[5-(2-chloro-4-methoxyphenoxy)pentyl]imidazole
CID 18921807
(2R)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
CID 1112620
1-[6-(3-methoxyphenoxy)hexyl]imidazole
CID 3758429
4-(3-imidazol-1-ylpropoxy)-3-methoxybenzoic acid
CID 61494840
1-[4-(3-imidazol-1-ylpropoxy)phenyl]propan-2-one
CID 115495270
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
2,4-diethoxy-N-(3-imidazol-1-ylpropyl)benzamide
CID 6464359
1-[2-[2-(diethylamino)ethoxy]-4-methoxyphenyl]ethanone
CID 82002145
1-[4-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanone
CID 82886096
(E)-N-(4-imidazol-1-ylbutyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
CID 166204567

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanone?
The IUPAC name of 1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanone (CID 82001062) is 1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanone?
The canonical SMILES for 1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanone is COc1ccc(C(C)=O)c(OCCCn2ccnc2)c1.
What is the InChIKey of 1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanone?
The InChIKey is PMVVLNFHJLWZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-12(18)14-5-4-13(19-2)10-15(14)20-9-3-7-17-8-6-16-11-17/h4-6,8,10-11H,3,7,9H2,1-2H3.
What are the key properties of 1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanone?
1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanone has a molecular weight of 274.32 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanone is sourced from PubChem (CID 82001062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).