1-(3-benzoylphenyl)propan-2-one;ethane

C18H20O2 — CID 144625692

IUPAC1-(3-benzoylphenyl)propan-2-one;ethane
SMILESCC.CC(=O)Cc1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C16H14O2.C2H6/c1-12(17)10-13-6-5-9-15(11-13)16(18)14-7-3-2-4-8-14;1-2/h2-9,11H,10H2,1H3;1-2H3
InChIKeyIMKYVURKYDRXBG-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.08
Rot. Bonds4

About 1-(3-benzoylphenyl)propan-2-one;ethane

1-(3-benzoylphenyl)propan-2-one;ethane (PubChem CID 144625692) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(3-benzoylphenyl)propan-2-one;ethane.

Molecular Properties

Compound Name1-(3-benzoylphenyl)propan-2-one;ethane
PubChem CID144625692
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-(3-benzoylphenyl)propan-2-one;ethane
SMILESCC.CC(=O)Cc1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C16H14O2.C2H6/c1-12(17)10-13-6-5-9-15(11-13)16(18)14-7-3-2-4-8-14;1-2/h2-9,11H,10H2,1H3;1-2H3
InChIKeyIMKYVURKYDRXBG-UHFFFAOYSA-N
XLogP4.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-acetylphenyl)propan-2-one
CID 12950417
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
benzene;1-phenylpropan-2-one
CID 21430852
[3-(chloromethyl)phenyl]-phenylmethanone
CID 12677421
diphenylmethanone;1-pyridin-4-ylpropan-2-one
CID 174822420
diphenylmethanone;ethane
CID 158014879
1,2-diphenylethanone;diphenylmethanone
CID 141067729
dimethyl benzene-1,3-dicarboxylate;1-phenylpropan-2-one
CID 174735167
[3-(2-methoxyethyl)phenyl]-phenylmethanone
CID 91307514
2-[3-[3,5-bis(carboxylatomethyl)benzoyl]phenyl]acetate
CID 140965650
bromomethylbenzene;diphenylmethanone
CID 159613438
methoxymethyl 3-(2-oxopropyl)benzoate
CID 89146440

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzoylphenyl)propan-2-one;ethane?
The IUPAC name of 1-(3-benzoylphenyl)propan-2-one;ethane (CID 144625692) is 1-(3-benzoylphenyl)propan-2-one;ethane.
What is the SMILES notation for 1-(3-benzoylphenyl)propan-2-one;ethane?
The canonical SMILES for 1-(3-benzoylphenyl)propan-2-one;ethane is CC.CC(=O)Cc1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of 1-(3-benzoylphenyl)propan-2-one;ethane?
The InChIKey is IMKYVURKYDRXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2.C2H6/c1-12(17)10-13-6-5-9-15(11-13)16(18)14-7-3-2-4-8-14;1-2/h2-9,11H,10H2,1H3;1-2H3.
What are the key properties of 1-(3-benzoylphenyl)propan-2-one;ethane?
1-(3-benzoylphenyl)propan-2-one;ethane has a molecular weight of 268.36 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzoylphenyl)propan-2-one;ethane is sourced from PubChem (CID 144625692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).