(E)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one

C18H18O2 — CID 5346110

IUPAC(E)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
SMILESCCOc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H18O2/c1-3-20-17-11-6-15(7-12-17)8-13-18(19)16-9-4-14(2)5-10-16/h4-13H,3H2,1-2H3/b13-8+
InChIKeyVBJALZMAELXFMU-MDWZMJQESA-N
MW266.34 g/mol
LogP4.29
Rot. Bonds5

About (E)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one

(E)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one (PubChem CID 5346110) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (E)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
PubChem CID5346110
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(E)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
SMILESCCOc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H18O2/c1-3-20-17-11-6-15(7-12-17)8-13-18(19)16-9-4-14(2)5-10-16/h4-13H,3H2,1-2H3/b13-8+
InChIKeyVBJALZMAELXFMU-MDWZMJQESA-N
XLogP4.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.29
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-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one (CID 5346110) is (E)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one is CCOc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of (E)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one?
The InChIKey is VBJALZMAELXFMU-MDWZMJQESA-N. The full InChI is InChI=1S/C18H18O2/c1-3-20-17-11-6-15(7-12-17)8-13-18(19)16-9-4-14(2)5-10-16/h4-13H,3H2,1-2H3/b13-8+.
What are the key properties of (E)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one?
(E)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one has a molecular weight of 266.34 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 5346110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).