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

C18H18O3 — CID 5346015

IUPAC(E)-1-(4-ethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
SMILESCCOc1ccc(C(=O)/C=C/c2cccc(OC)c2)cc1
InChIInChI=1S/C18H18O3/c1-3-21-16-10-8-15(9-11-16)18(19)12-7-14-5-4-6-17(13-14)20-2/h4-13H,3H2,1-2H3/b12-7+
InChIKeyLIPQXABAYAKUJH-KPKJPENVSA-N
MW282.34 g/mol
LogP3.99
Rot. Bonds6

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

(E)-1-(4-ethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one (PubChem CID 5346015) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (E)-1-(4-ethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-ethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
PubChem CID5346015
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name(E)-1-(4-ethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
SMILESCCOc1ccc(C(=O)/C=C/c2cccc(OC)c2)cc1
InChIInChI=1S/C18H18O3/c1-3-21-16-10-8-15(9-11-16)18(19)12-7-14-5-4-6-17(13-14)20-2/h4-13H,3H2,1-2H3/b12-7+
InChIKeyLIPQXABAYAKUJH-KPKJPENVSA-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

3-(3-ethoxyphenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 75890323
(Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 92913082
1-[4-(4-bromobutoxy)phenyl]-3-(3-methoxyphenyl)prop-2-en-1-one
CID 168866675
(E)-3-(3-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 39369361
(E)-3-(3-ethoxyphenyl)-1-(2-fluoro-4-methoxyphenyl)prop-2-en-1-one
CID 78889146
[4-[3-(3-methoxyphenyl)prop-2-enoyl]phenyl] 4-methoxybenzoate
CID 3494985
(E)-3-(3-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12632556
(E)-3-[3-(2-methoxyethoxy)phenyl]-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one
CID 52683145
(E)-3-(3-ethoxyphenyl)-1-(3-methoxy-4-methylsulfonylphenyl)prop-2-en-1-one
CID 48923058
[4-[3-(4-ethoxyphenyl)prop-2-enoyl]phenyl] 4-methoxybenzoate
CID 3529372
[3-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] (E)-3-(4-tetradecoxyphenyl)prop-2-enoate
CID 102308662
[3-(3-oxo-3-phenylprop-1-enyl)phenyl] 4-methoxybenzoate
CID 5088437

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-ethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-ethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one (CID 5346015) is (E)-1-(4-ethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-ethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-ethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one is CCOc1ccc(C(=O)/C=C/c2cccc(OC)c2)cc1.
What is the InChIKey of (E)-1-(4-ethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one?
The InChIKey is LIPQXABAYAKUJH-KPKJPENVSA-N. The full InChI is InChI=1S/C18H18O3/c1-3-21-16-10-8-15(9-11-16)18(19)12-7-14-5-4-6-17(13-14)20-2/h4-13H,3H2,1-2H3/b12-7+.
What are the key properties of (E)-1-(4-ethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one?
(E)-1-(4-ethoxyphenyl)-3-(3-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)-1-(4-ethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 5346015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).