1-(3-cyclopropyloxyphenyl)propan-1-one

C12H14O2 — CID 114521082

IUPAC1-(3-cyclopropyloxyphenyl)propan-1-one
SMILESCCC(=O)c1cccc(OC2CC2)c1
InChIInChI=1S/C12H14O2/c1-2-12(13)9-4-3-5-11(8-9)14-10-6-7-10/h3-5,8,10H,2,6-7H2,1H3
InChIKeyYWCGMNDGXZTOMU-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.82
Rot. Bonds4

About 1-(3-cyclopropyloxyphenyl)propan-1-one

1-(3-cyclopropyloxyphenyl)propan-1-one (PubChem CID 114521082) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)propan-1-one
PubChem CID114521082
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name1-(3-cyclopropyloxyphenyl)propan-1-one
SMILESCCC(=O)c1cccc(OC2CC2)c1
InChIInChI=1S/C12H14O2/c1-2-12(13)9-4-3-5-11(8-9)14-10-6-7-10/h3-5,8,10H,2,6-7H2,1H3
InChIKeyYWCGMNDGXZTOMU-UHFFFAOYSA-N
XLogP2.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-cyclopropyloxyphenyl)phenyl]propan-1-one
CID 114522522
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanone
CID 114521119
3-(aminomethyl)-1-(3-cyclopropyloxyphenyl)pentan-1-one
CID 114523846
1-(3-cyclopropyloxyphenyl)-2-methylbutan-1-one
CID 114521136
1-(3-cyclopropyloxyphenyl)-2-hydroxy-2-methylbutan-1-one
CID 103446837
4-amino-1-(3-cyclopropyloxyphenyl)-3-methylbutan-1-one
CID 114523847
1-(3-cyclopropyloxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 114521180
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
1-(3-cyclopropyloxyphenyl)-4-phenylbutan-1-one
CID 105134475
1-(3-cyclopropyloxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114521120
1-(3-cyclopropyloxyphenyl)-2-ethoxypentan-1-one
CID 114521268
1-(3-cyclopropyloxyphenyl)-3-pyridin-4-ylpropan-1-one
CID 105134432

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)propan-1-one?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)propan-1-one (CID 114521082) is 1-(3-cyclopropyloxyphenyl)propan-1-one.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)propan-1-one?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)propan-1-one is CCC(=O)c1cccc(OC2CC2)c1.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)propan-1-one?
The InChIKey is YWCGMNDGXZTOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-12(13)9-4-3-5-11(8-9)14-10-6-7-10/h3-5,8,10H,2,6-7H2,1H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)propan-1-one?
1-(3-cyclopropyloxyphenyl)propan-1-one has a molecular weight of 190.24 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)propan-1-one is sourced from PubChem (CID 114521082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).