1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-one

C19H20O2 — CID 115812788

IUPAC1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-one
SMILESCCC(C(=O)c1ccc(OC2CC2)cc1)c1ccccc1
InChIInChI=1S/C19H20O2/c1-2-18(14-6-4-3-5-7-14)19(20)15-8-10-16(11-9-15)21-17-12-13-17/h3-11,17-18H,2,12-13H2,1H3
InChIKeyGEUDOIPOFMHGFA-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.60
Rot. Bonds6

About 1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-one

1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-one (PubChem CID 115812788) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-one.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-one
PubChem CID115812788
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-one
SMILESCCC(C(=O)c1ccc(OC2CC2)cc1)c1ccccc1
InChIInChI=1S/C19H20O2/c1-2-18(14-6-4-3-5-7-14)19(20)15-8-10-16(11-9-15)21-17-12-13-17/h3-11,17-18H,2,12-13H2,1H3
InChIKeyGEUDOIPOFMHGFA-UHFFFAOYSA-N
XLogP4.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclopropyloxyphenyl)-2-methylbutan-1-one
CID 114518839
(2R)-1-(4-hydroxyphenyl)-2-phenylbutan-1-one
CID 914909
(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 93090141
1-(4-iodophenyl)-2-phenylbutan-1-one
CID 11772471
1,2-bis(4-phenylmethoxyphenyl)butan-1-one
CID 70452916
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylbutan-1-one
CID 70670904
1-(4-cyclopropyloxyphenyl)-2-hydroxypentan-1-one
CID 103454073
2-(4-cyclopropyloxyphenyl)pentanoic acid
CID 114520015
1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylbutan-1-one
CID 70452860
2-phenyl-1-(4-pyridin-4-yloxypiperidin-1-yl)butan-1-one
CID 91815923
1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-amine
CID 105051483
1-(4-cyclopropyloxyphenyl)-2-hydroxy-3-methylbutan-1-one
CID 103455440

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-one?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-one (CID 115812788) is 1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-one.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-one?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-one is CCC(C(=O)c1ccc(OC2CC2)cc1)c1ccccc1.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-one?
The InChIKey is GEUDOIPOFMHGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-2-18(14-6-4-3-5-7-14)19(20)15-8-10-16(11-9-15)21-17-12-13-17/h3-11,17-18H,2,12-13H2,1H3.
What are the key properties of 1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-one?
1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-one has a molecular weight of 280.37 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-one is sourced from PubChem (CID 115812788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).