2-phenyl-1-(3-propan-2-ylphenyl)butan-1-one

C19H22O — CID 146007205

IUPAC2-phenyl-1-(3-propan-2-ylphenyl)butan-1-one
SMILESCCC(C(=O)c1cccc(C(C)C)c1)c1ccccc1
InChIInChI=1S/C19H22O/c1-4-18(15-9-6-5-7-10-15)19(20)17-12-8-11-16(13-17)14(2)3/h5-14,18H,4H2,1-3H3
InChIKeyXINVPVHBFXBDAS-UHFFFAOYSA-N
MW266.38 g/mol
LogP5.19
Rot. Bonds5

About 2-phenyl-1-(3-propan-2-ylphenyl)butan-1-one

2-phenyl-1-(3-propan-2-ylphenyl)butan-1-one (PubChem CID 146007205) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-phenyl-1-(3-propan-2-ylphenyl)butan-1-one.

Molecular Properties

Compound Name2-phenyl-1-(3-propan-2-ylphenyl)butan-1-one
PubChem CID146007205
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name2-phenyl-1-(3-propan-2-ylphenyl)butan-1-one
SMILESCCC(C(=O)c1cccc(C(C)C)c1)c1ccccc1
InChIInChI=1S/C19H22O/c1-4-18(15-9-6-5-7-10-15)19(20)17-12-8-11-16(13-17)14(2)3/h5-14,18H,4H2,1-3H3
InChIKeyXINVPVHBFXBDAS-UHFFFAOYSA-N
XLogP5.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-(3-hydroxyphenyl)-2-phenylbutan-1-one
CID 125480458
(2R)-1-(4-hydroxyphenyl)-2-phenylbutan-1-one
CID 914909
2-chloro-1-(3-propan-2-ylphenyl)propan-1-one
CID 131009235
1-(4-chloro-3-ethylphenyl)-2-phenylbutan-1-one
CID 146008361
1-(4-iodophenyl)-2-phenylbutan-1-one
CID 11772471
1-(4-chloro-3-fluorophenyl)-2-phenylbutan-1-one
CID 146005749
2-phenyl-1-(3-propan-2-ylphenyl)ethanone
CID 146007200
1-(5-methylthiophen-3-yl)-2-phenylbutan-1-one
CID 114975971
1-(1,3-dihydro-2-benzofuran-5-yl)-2-phenylbutan-1-one
CID 63021260
(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 93090141
1-(4-fluoro-3-methoxyphenyl)-2-phenylbutan-1-one
CID 146006844
1-(2,6-difluorophenyl)-2-phenylbutan-1-one
CID 114972889

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(3-propan-2-ylphenyl)butan-1-one?
The IUPAC name of 2-phenyl-1-(3-propan-2-ylphenyl)butan-1-one (CID 146007205) is 2-phenyl-1-(3-propan-2-ylphenyl)butan-1-one.
What is the SMILES notation for 2-phenyl-1-(3-propan-2-ylphenyl)butan-1-one?
The canonical SMILES for 2-phenyl-1-(3-propan-2-ylphenyl)butan-1-one is CCC(C(=O)c1cccc(C(C)C)c1)c1ccccc1.
What is the InChIKey of 2-phenyl-1-(3-propan-2-ylphenyl)butan-1-one?
The InChIKey is XINVPVHBFXBDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-4-18(15-9-6-5-7-10-15)19(20)17-12-8-11-16(13-17)14(2)3/h5-14,18H,4H2,1-3H3.
What are the key properties of 2-phenyl-1-(3-propan-2-ylphenyl)butan-1-one?
2-phenyl-1-(3-propan-2-ylphenyl)butan-1-one has a molecular weight of 266.38 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(3-propan-2-ylphenyl)butan-1-one is sourced from PubChem (CID 146007205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).