1-(3-cyclopropyloxyphenyl)-3-pyridin-4-ylpropan-1-one

C17H17NO2 — CID 105134432

IUPAC1-(3-cyclopropyloxyphenyl)-3-pyridin-4-ylpropan-1-one
SMILESO=C(CCc1ccncc1)c1cccc(OC2CC2)c1
InChIInChI=1S/C17H17NO2/c19-17(7-4-13-8-10-18-11-9-13)14-2-1-3-16(12-14)20-15-5-6-15/h1-3,8-12,15H,4-7H2
InChIKeyWHQRIHKRZNRIQK-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.44
Rot. Bonds6

About 1-(3-cyclopropyloxyphenyl)-3-pyridin-4-ylpropan-1-one

1-(3-cyclopropyloxyphenyl)-3-pyridin-4-ylpropan-1-one (PubChem CID 105134432) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-3-pyridin-4-ylpropan-1-one
PubChem CID105134432
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-(3-cyclopropyloxyphenyl)-3-pyridin-4-ylpropan-1-one
SMILESO=C(CCc1ccncc1)c1cccc(OC2CC2)c1
InChIInChI=1S/C17H17NO2/c19-17(7-4-13-8-10-18-11-9-13)14-2-1-3-16(12-14)20-15-5-6-15/h1-3,8-12,15H,4-7H2
InChIKeyWHQRIHKRZNRIQK-UHFFFAOYSA-N
XLogP3.44
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopropyloxyphenyl)-4-phenylbutan-1-one
CID 105134475
1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxyphenyl]-3-phenylpropan-1-one
CID 158871162
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
1-(3-methoxyphenyl)-2-pyridin-4-ylethanone
CID 11276228
1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-one
CID 105133909
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanone
CID 114521119
[4-(2-aminoethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone
CID 114523778
1-cyclopropyl-3-(3-cyclopropyloxyphenyl)propan-1-one
CID 114522899
[4-(aminomethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone
CID 114523660
4-amino-1-(3-cyclopropyloxyphenyl)-3-methylbutan-1-one
CID 114523847
(1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone
CID 114523853
1-(3-cyclopropyloxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114521120

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-3-pyridin-4-ylpropan-1-one (CID 105134432) is 1-(3-cyclopropyloxyphenyl)-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-3-pyridin-4-ylpropan-1-one is O=C(CCc1ccncc1)c1cccc(OC2CC2)c1.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-3-pyridin-4-ylpropan-1-one?
The InChIKey is WHQRIHKRZNRIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-17(7-4-13-8-10-18-11-9-13)14-2-1-3-16(12-14)20-15-5-6-15/h1-3,8-12,15H,4-7H2.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-3-pyridin-4-ylpropan-1-one?
1-(3-cyclopropyloxyphenyl)-3-pyridin-4-ylpropan-1-one has a molecular weight of 267.33 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 105134432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).