1-(3-cyclopropyloxyphenyl)-4-phenylbutan-1-one

C19H20O2 — CID 105134475

IUPAC1-(3-cyclopropyloxyphenyl)-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)c1cccc(OC2CC2)c1
InChIInChI=1S/C19H20O2/c20-19(11-4-8-15-6-2-1-3-7-15)16-9-5-10-18(14-16)21-17-12-13-17/h1-3,5-7,9-10,14,17H,4,8,11-13H2
InChIKeyIZCWMWRAHYKXRX-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.43
Rot. Bonds7

About 1-(3-cyclopropyloxyphenyl)-4-phenylbutan-1-one

1-(3-cyclopropyloxyphenyl)-4-phenylbutan-1-one (PubChem CID 105134475) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-4-phenylbutan-1-one
PubChem CID105134475
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name1-(3-cyclopropyloxyphenyl)-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)c1cccc(OC2CC2)c1
InChIInChI=1S/C19H20O2/c20-19(11-4-8-15-6-2-1-3-7-15)16-9-5-10-18(14-16)21-17-12-13-17/h1-3,5-7,9-10,14,17H,4,8,11-13H2
InChIKeyIZCWMWRAHYKXRX-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclopropyloxyphenyl)-3-pyridin-4-ylpropan-1-one
CID 105134432
1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxyphenyl]-3-phenylpropan-1-one
CID 158871162
4-(1-methylpyrrolidin-2-yl)-1-[3-[1-(3-phenylpropyl)piperidin-4-yl]oxyphenyl]butan-1-one
CID 58356684
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
1-(3-methylphenyl)-4-phenylbutan-1-one
CID 54171094
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanone
CID 114521119
[4-(2-aminoethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone
CID 114523778
1-[3-(dimethylamino)phenyl]-4-phenylbutan-1-one
CID 105093194
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
2-(2-chloro-4-fluorophenyl)-1-(3-cyclopropyloxyphenyl)ethanone
CID 114521127

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-4-phenylbutan-1-one?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-4-phenylbutan-1-one (CID 105134475) is 1-(3-cyclopropyloxyphenyl)-4-phenylbutan-1-one.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-4-phenylbutan-1-one?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-4-phenylbutan-1-one is O=C(CCCc1ccccc1)c1cccc(OC2CC2)c1.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-4-phenylbutan-1-one?
The InChIKey is IZCWMWRAHYKXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c20-19(11-4-8-15-6-2-1-3-7-15)16-9-5-10-18(14-16)21-17-12-13-17/h1-3,5-7,9-10,14,17H,4,8,11-13H2.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-4-phenylbutan-1-one?
1-(3-cyclopropyloxyphenyl)-4-phenylbutan-1-one has a molecular weight of 280.37 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-4-phenylbutan-1-one is sourced from PubChem (CID 105134475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).