3-(3-acetylphenyl)-1-(3-methylphenyl)prop-2-en-1-one

C18H16O2 — CID 123185506

IUPAC3-(3-acetylphenyl)-1-(3-methylphenyl)prop-2-en-1-one
SMILESCC(=O)c1cccc(C=CC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C18H16O2/c1-13-5-3-8-17(11-13)18(20)10-9-15-6-4-7-16(12-15)14(2)19/h3-12H,1-2H3
InChIKeyCXGNBFCJUCUHJM-UHFFFAOYSA-N
MW264.32 g/mol
LogP4.09
Rot. Bonds4

About 3-(3-acetylphenyl)-1-(3-methylphenyl)prop-2-en-1-one

3-(3-acetylphenyl)-1-(3-methylphenyl)prop-2-en-1-one (PubChem CID 123185506) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(3-acetylphenyl)-1-(3-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(3-acetylphenyl)-1-(3-methylphenyl)prop-2-en-1-one
PubChem CID123185506
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name3-(3-acetylphenyl)-1-(3-methylphenyl)prop-2-en-1-one
SMILESCC(=O)c1cccc(C=CC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C18H16O2/c1-13-5-3-8-17(11-13)18(20)10-9-15-6-4-7-16(12-15)14(2)19/h3-12H,1-2H3
InChIKeyCXGNBFCJUCUHJM-UHFFFAOYSA-N
XLogP4.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858788
(E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one;(E)-4-phenylbut-3-en-2-one
CID 161243705
ethane;1-(3-methylphenyl)ethanone;molecular hydrogen
CID 143647766
1,3-diphenylprop-2-en-1-one;1-phenylethanone
CID 174503115
1-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)prop-2-en-1-one
CID 54137742
N-[3-[(Z)-3-[4-[(Z)-3-(3-acetamidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]acetamide
CID 21159287
3-[(E)-3-oxo-3-(3-trimethylgermylphenyl)prop-1-enyl]benzoic acid
CID 10067649
3-[4-(dimethylamino)phenyl]-1-phenylprop-2-en-1-one;3-(3-methylphenyl)-1-phenylprop-2-en-1-one
CID 67867669
(E)-3-[4-methoxy-3-(methoxymethyl)phenyl]-1-(3-methylphenyl)prop-2-en-1-one
CID 19570966
(E)-3-(3-bromophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 6282407
(E)-1-(4-methyl-3-nitrophenyl)-3-(3-methylphenyl)prop-2-en-1-one
CID 6038542
ethane;2-(3-methylphenyl)-2-oxoacetaldehyde
CID 90798157

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylphenyl)-1-(3-methylphenyl)prop-2-en-1-one?
The IUPAC name of 3-(3-acetylphenyl)-1-(3-methylphenyl)prop-2-en-1-one (CID 123185506) is 3-(3-acetylphenyl)-1-(3-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(3-acetylphenyl)-1-(3-methylphenyl)prop-2-en-1-one?
The canonical SMILES for 3-(3-acetylphenyl)-1-(3-methylphenyl)prop-2-en-1-one is CC(=O)c1cccc(C=CC(=O)c2cccc(C)c2)c1.
What is the InChIKey of 3-(3-acetylphenyl)-1-(3-methylphenyl)prop-2-en-1-one?
The InChIKey is CXGNBFCJUCUHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-13-5-3-8-17(11-13)18(20)10-9-15-6-4-7-16(12-15)14(2)19/h3-12H,1-2H3.
What are the key properties of 3-(3-acetylphenyl)-1-(3-methylphenyl)prop-2-en-1-one?
3-(3-acetylphenyl)-1-(3-methylphenyl)prop-2-en-1-one has a molecular weight of 264.32 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylphenyl)-1-(3-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 123185506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).