1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione

C19H18O4 — CID 129074944

IUPAC1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione
SMILESC=CCOc1ccc(C(=O)C(=O)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C19H18O4/c1-3-13-23-17-11-7-15(8-12-17)19(21)18(20)14-5-9-16(10-6-14)22-4-2/h3,5-12H,1,4,13H2,2H3
InChIKeyYDAKBCZMVFVEHJ-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.72
Rot. Bonds8

About 1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione

1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione (PubChem CID 129074944) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione
PubChem CID129074944
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione
SMILESC=CCOc1ccc(C(=O)C(=O)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C19H18O4/c1-3-13-23-17-11-7-15(8-12-17)19(21)18(20)14-5-9-16(10-6-14)22-4-2/h3,5-12H,1,4,13H2,2H3
InChIKeyYDAKBCZMVFVEHJ-UHFFFAOYSA-N
XLogP3.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 5054841
N-ethoxy-4-prop-2-enoxybenzamide
CID 60735511
benzene;4-prop-2-enoxybenzoic acid
CID 174857047
(4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate
CID 70257888
methyl 4-(4-prop-2-enoxyphenyl)benzoate
CID 22625454
1-(4-prop-2-enoxyphenyl)butane-1,3-dione
CID 54091970
3-bromo-1-(4-ethoxyphenyl)propane-1,2-dione
CID 94697053
[4-(4-methoxyphenoxy)carbonylphenyl] 4-prop-2-enoxybenzoate
CID 18368747
2-[(dimethylamino)methyl]-1-(4-ethoxyphenyl)prop-2-en-1-one;hydrochloride
CID 139224093
(4-prop-2-enoxyphenyl) 4-methoxybenzoate
CID 71332396
4-(4-ethoxyphenyl)benzamide
CID 163572533
2-(4-ethoxyphenyl)-6-prop-2-enoxynaphthalene
CID 139863903

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione?
The IUPAC name of 1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione (CID 129074944) is 1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione is C=CCOc1ccc(C(=O)C(=O)c2ccc(OCC)cc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione?
The InChIKey is YDAKBCZMVFVEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-3-13-23-17-11-7-15(8-12-17)19(21)18(20)14-5-9-16(10-6-14)22-4-2/h3,5-12H,1,4,13H2,2H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione?
1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione has a molecular weight of 310.35 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione is sourced from PubChem (CID 129074944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).