(E)-3-(3-ethenylphenyl)-1-(2-ethoxyphenyl)prop-2-en-1-one

C19H18O2 — CID 118732199

IUPAC(E)-3-(3-ethenylphenyl)-1-(2-ethoxyphenyl)prop-2-en-1-one
SMILESC=Cc1cccc(/C=C/C(=O)c2ccccc2OCC)c1
InChIInChI=1S/C19H18O2/c1-3-15-8-7-9-16(14-15)12-13-18(20)17-10-5-6-11-19(17)21-4-2/h3,5-14H,1,4H2,2H3/b13-12+
InChIKeyKIMSXYUCRWQKOV-OUKQBFOZSA-N
MW278.35 g/mol
LogP4.62
Rot. Bonds6

About (E)-3-(3-ethenylphenyl)-1-(2-ethoxyphenyl)prop-2-en-1-one

(E)-3-(3-ethenylphenyl)-1-(2-ethoxyphenyl)prop-2-en-1-one (PubChem CID 118732199) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is (E)-3-(3-ethenylphenyl)-1-(2-ethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3-ethenylphenyl)-1-(2-ethoxyphenyl)prop-2-en-1-one
PubChem CID118732199
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name(E)-3-(3-ethenylphenyl)-1-(2-ethoxyphenyl)prop-2-en-1-one
SMILESC=Cc1cccc(/C=C/C(=O)c2ccccc2OCC)c1
InChIInChI=1S/C19H18O2/c1-3-15-8-7-9-16(14-15)12-13-18(20)17-10-5-6-11-19(17)21-4-2/h3,5-14H,1,4H2,2H3/b13-12+
InChIKeyKIMSXYUCRWQKOV-OUKQBFOZSA-N
XLogP4.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.62
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-ethenylphenyl)-1-(2-ethoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(3-ethenylphenyl)-1-(2-ethoxyphenyl)prop-2-en-1-one (CID 118732199) is (E)-3-(3-ethenylphenyl)-1-(2-ethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(3-ethenylphenyl)-1-(2-ethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(3-ethenylphenyl)-1-(2-ethoxyphenyl)prop-2-en-1-one is C=Cc1cccc(/C=C/C(=O)c2ccccc2OCC)c1.
What is the InChIKey of (E)-3-(3-ethenylphenyl)-1-(2-ethoxyphenyl)prop-2-en-1-one?
The InChIKey is KIMSXYUCRWQKOV-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H18O2/c1-3-15-8-7-9-16(14-15)12-13-18(20)17-10-5-6-11-19(17)21-4-2/h3,5-14H,1,4H2,2H3/b13-12+.
What are the key properties of (E)-3-(3-ethenylphenyl)-1-(2-ethoxyphenyl)prop-2-en-1-one?
(E)-3-(3-ethenylphenyl)-1-(2-ethoxyphenyl)prop-2-en-1-one has a molecular weight of 278.35 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-ethenylphenyl)-1-(2-ethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 118732199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).