(E)-2-methyl-1-(2-phenacylphenyl)pent-1-en-3-one

C20H20O2 — CID 71481560

IUPAC(E)-2-methyl-1-(2-phenacylphenyl)pent-1-en-3-one
SMILESCCC(=O)/C(C)=C/c1ccccc1CC(=O)c1ccccc1
InChIInChI=1S/C20H20O2/c1-3-19(21)15(2)13-17-11-7-8-12-18(17)14-20(22)16-9-5-4-6-10-16/h4-13H,3,14H2,1-2H3/b15-13+
InChIKeySBCTUTQZUFTTNE-FYWRMAATSA-N
MW292.38 g/mol
LogP4.49
Rot. Bonds6

About (E)-2-methyl-1-(2-phenacylphenyl)pent-1-en-3-one

(E)-2-methyl-1-(2-phenacylphenyl)pent-1-en-3-one (PubChem CID 71481560) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (E)-2-methyl-1-(2-phenacylphenyl)pent-1-en-3-one.

Molecular Properties

Compound Name(E)-2-methyl-1-(2-phenacylphenyl)pent-1-en-3-one
PubChem CID71481560
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name(E)-2-methyl-1-(2-phenacylphenyl)pent-1-en-3-one
SMILESCCC(=O)/C(C)=C/c1ccccc1CC(=O)c1ccccc1
InChIInChI=1S/C20H20O2/c1-3-19(21)15(2)13-17-11-7-8-12-18(17)14-20(22)16-9-5-4-6-10-16/h4-13H,3,14H2,1-2H3/b15-13+
InChIKeySBCTUTQZUFTTNE-FYWRMAATSA-N
XLogP4.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.49
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

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CID 19101070
1-phenyl(111C)propan-1-one
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methane;1-phenylpropan-1-one
CID 67638055
1-ethyl-2-[(1E,5E)-6-(2-ethylphenyl)-2,5-dimethylhexa-1,5-dienyl]benzene
CID 171562977
3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enoic acid
CID 79725443
2-methyl-3-(2-prop-2-enylphenyl)prop-2-enoic acid
CID 67283763
1-phenylbutan-1-one
CID 10315
(E)-but-2-enedioic acid;1-phenylpropan-1-one
CID 172758330
1-phenylbutan-1-one;hydrobromide
CID 139638507
N,N-dimethylmethanamine;1-phenylpropan-1-one
CID 174454319
2-naphthalen-1-yl-1-phenylethanone
CID 10900926

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-1-(2-phenacylphenyl)pent-1-en-3-one?
The IUPAC name of (E)-2-methyl-1-(2-phenacylphenyl)pent-1-en-3-one (CID 71481560) is (E)-2-methyl-1-(2-phenacylphenyl)pent-1-en-3-one.
What is the SMILES notation for (E)-2-methyl-1-(2-phenacylphenyl)pent-1-en-3-one?
The canonical SMILES for (E)-2-methyl-1-(2-phenacylphenyl)pent-1-en-3-one is CCC(=O)/C(C)=C/c1ccccc1CC(=O)c1ccccc1.
What is the InChIKey of (E)-2-methyl-1-(2-phenacylphenyl)pent-1-en-3-one?
The InChIKey is SBCTUTQZUFTTNE-FYWRMAATSA-N. The full InChI is InChI=1S/C20H20O2/c1-3-19(21)15(2)13-17-11-7-8-12-18(17)14-20(22)16-9-5-4-6-10-16/h4-13H,3,14H2,1-2H3/b15-13+.
What are the key properties of (E)-2-methyl-1-(2-phenacylphenyl)pent-1-en-3-one?
(E)-2-methyl-1-(2-phenacylphenyl)pent-1-en-3-one has a molecular weight of 292.38 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-1-(2-phenacylphenyl)pent-1-en-3-one is sourced from PubChem (CID 71481560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).