1-[4-(3-cyclopropyloxyphenyl)phenyl]propan-1-one

C18H18O2 — CID 114522522

IUPAC1-[4-(3-cyclopropyloxyphenyl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2cccc(OC3CC3)c2)cc1
InChIInChI=1S/C18H18O2/c1-2-18(19)14-8-6-13(7-9-14)15-4-3-5-17(12-15)20-16-10-11-16/h3-9,12,16H,2,10-11H2,1H3
InChIKeyZIMLFRKWEJBNSF-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.49
Rot. Bonds5

About 1-[4-(3-cyclopropyloxyphenyl)phenyl]propan-1-one

1-[4-(3-cyclopropyloxyphenyl)phenyl]propan-1-one (PubChem CID 114522522) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[4-(3-cyclopropyloxyphenyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(3-cyclopropyloxyphenyl)phenyl]propan-1-one
PubChem CID114522522
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name1-[4-(3-cyclopropyloxyphenyl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2cccc(OC3CC3)c2)cc1
InChIInChI=1S/C18H18O2/c1-2-18(19)14-8-6-13(7-9-14)15-4-3-5-17(12-15)20-16-10-11-16/h3-9,12,16H,2,10-11H2,1H3
InChIKeyZIMLFRKWEJBNSF-UHFFFAOYSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
4-(3-cyclopropyloxyphenyl)-2-methylphenol
CID 114523617
1-[3-(4-ethoxyphenyl)phenyl]propan-1-one
CID 54912382
1-(3-cyclopropyloxyphenyl)-2-methylbutan-1-one
CID 114521136
1-[4-(4-phenylphenoxy)phenyl]propan-1-one
CID 18364107
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanone
CID 114521119
1-(3-cyclopropyloxyphenyl)-2-hydroxy-2-methylbutan-1-one
CID 103446837
[4-(aminomethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone
CID 114523660
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-cyclopropyloxyphenyl)phenyl]methanone
CID 118633877
[4-(3-cyclopropyloxyphenyl)phenyl]-[4-(3-hydroxyoxetane-3-carbonyl)piperazin-1-yl]methanone
CID 118633886
3-(3-cyclopropyloxyphenyl)-2-methylbenzoic acid
CID 114522408
(3-cyclopropyloxyphenyl)-(4-propan-2-ylphenyl)methanone
CID 114521063

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-cyclopropyloxyphenyl)phenyl]propan-1-one?
The IUPAC name of 1-[4-(3-cyclopropyloxyphenyl)phenyl]propan-1-one (CID 114522522) is 1-[4-(3-cyclopropyloxyphenyl)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-(3-cyclopropyloxyphenyl)phenyl]propan-1-one?
The canonical SMILES for 1-[4-(3-cyclopropyloxyphenyl)phenyl]propan-1-one is CCC(=O)c1ccc(-c2cccc(OC3CC3)c2)cc1.
What is the InChIKey of 1-[4-(3-cyclopropyloxyphenyl)phenyl]propan-1-one?
The InChIKey is ZIMLFRKWEJBNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-2-18(19)14-8-6-13(7-9-14)15-4-3-5-17(12-15)20-16-10-11-16/h3-9,12,16H,2,10-11H2,1H3.
What are the key properties of 1-[4-(3-cyclopropyloxyphenyl)phenyl]propan-1-one?
1-[4-(3-cyclopropyloxyphenyl)phenyl]propan-1-one has a molecular weight of 266.34 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-cyclopropyloxyphenyl)phenyl]propan-1-one is sourced from PubChem (CID 114522522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).