1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione

C18H18O3 — CID 18428800

IUPAC1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
SMILESCCc1ccc(C(=O)CC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H18O3/c1-3-13-4-6-14(7-5-13)17(19)12-18(20)15-8-10-16(21-2)11-9-15/h4-11H,3,12H2,1-2H3
InChIKeyASZAWOQIBGRVBT-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.71
Rot. Bonds6

About 1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione

1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione (PubChem CID 18428800) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
PubChem CID18428800
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
SMILESCCc1ccc(C(=O)CC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H18O3/c1-3-13-4-6-14(7-5-13)17(19)12-18(20)15-8-10-16(21-2)11-9-15/h4-11H,3,12H2,1-2H3
InChIKeyASZAWOQIBGRVBT-UHFFFAOYSA-N
XLogP3.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxyphenyl)-3-(4-ethylphenyl)propane-1,3-dione
CID 18428768
[2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 902766
[4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate
CID 118103231
3-(4-methoxyphenyl)-N-methyl-3-oxopropanamide
CID 16751964
3-(4-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide
CID 165177985
(3R)-3-(4-ethylanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 100816884
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone
CID 71380079
N-[1-(4-ethylphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 4247577
1-ethyl-4-methoxybenzene;1-(6-ethylnaphthalen-2-yl)ethanone;methane;methoxymethane
CID 158794651
1-[3-(hydroxymethyl)phenyl]-3-(4-methoxyphenyl)propane-1,3-dione
CID 153485063
1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione?
The IUPAC name of 1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione (CID 18428800) is 1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione?
The canonical SMILES for 1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione is CCc1ccc(C(=O)CC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione?
The InChIKey is ASZAWOQIBGRVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-3-13-4-6-14(7-5-13)17(19)12-18(20)15-8-10-16(21-2)11-9-15/h4-11H,3,12H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione?
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione has a molecular weight of 282.34 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione is sourced from PubChem (CID 18428800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).