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

C18H18O3 — CID 19566915

IUPAC(E)-3-(4-ethoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one
SMILESCCOc1ccc(/C=C/C(=O)c2ccccc2OC)cc1
InChIInChI=1S/C18H18O3/c1-3-21-15-11-8-14(9-12-15)10-13-17(19)16-6-4-5-7-18(16)20-2/h4-13H,3H2,1-2H3/b13-10+
InChIKeyULSLHWTUZPFQIP-JLHYYAGUSA-N
MW282.34 g/mol
LogP3.99
Rot. Bonds6

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

(E)-3-(4-ethoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one (PubChem CID 19566915) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (E)-3-(4-ethoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-ethoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one
PubChem CID19566915
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name(E)-3-(4-ethoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one
SMILESCCOc1ccc(/C=C/C(=O)c2ccccc2OC)cc1
InChIInChI=1S/C18H18O3/c1-3-21-15-11-8-14(9-12-15)10-13-17(19)16-6-4-5-7-18(16)20-2/h4-13H,3H2,1-2H3/b13-10+
InChIKeyULSLHWTUZPFQIP-JLHYYAGUSA-N
XLogP3.99
TPSA35.53 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 ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(2-methoxyphenyl)-3-(4-pentoxyphenyl)prop-2-en-1-one
CID 19566910
(E)-3-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-(2-methoxyphenyl)prop-2-en-1-one
CID 19567044
(E)-3-(4-ethoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 5379227
(E)-3-(2,4-diethoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one
CID 139826664
(E)-3-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 5379234
(E)-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]-1-(2-methoxyphenyl)prop-2-en-1-one
CID 19566973
(E)-3-(4-ethoxyphenyl)-N-[[(2-methoxybenzoyl)amino]carbamothioyl]prop-2-enamide
CID 17227688
1-(2-methoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one
CID 140808569
(E)-1-(2-methoxyphenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one
CID 19567083
(E)-3-(4-ethoxyphenyl)-1-(2-fluoro-4-methoxyphenyl)prop-2-en-1-one
CID 78787189
[4-[3-(2,4-dimethoxyphenyl)-3-oxoprop-1-enyl]phenyl] 2-methoxybenzoate
CID 3558717
(E)-1-(2-methoxyphenyl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 19566928

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(4-ethoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one (CID 19566915) is (E)-3-(4-ethoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-ethoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-ethoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one is CCOc1ccc(/C=C/C(=O)c2ccccc2OC)cc1.
What is the InChIKey of (E)-3-(4-ethoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one?
The InChIKey is ULSLHWTUZPFQIP-JLHYYAGUSA-N. The full InChI is InChI=1S/C18H18O3/c1-3-21-15-11-8-14(9-12-15)10-13-17(19)16-6-4-5-7-18(16)20-2/h4-13H,3H2,1-2H3/b13-10+.
What are the key properties of (E)-3-(4-ethoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one?
(E)-3-(4-ethoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one has a molecular weight of 282.34 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 19566915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).