3-(3-methoxy-4-prop-2-enoxyphenyl)-1-phenylprop-2-en-1-one

C19H18O3 — CID 75849735

IUPAC3-(3-methoxy-4-prop-2-enoxyphenyl)-1-phenylprop-2-en-1-one
SMILESC=CCOc1ccc(C=CC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C19H18O3/c1-3-13-22-18-12-10-15(14-19(18)21-2)9-11-17(20)16-7-5-4-6-8-16/h3-12,14H,1,13H2,2H3
InChIKeyNBKQUVCPGJUGSS-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.16
Rot. Bonds7

About 3-(3-methoxy-4-prop-2-enoxyphenyl)-1-phenylprop-2-en-1-one

3-(3-methoxy-4-prop-2-enoxyphenyl)-1-phenylprop-2-en-1-one (PubChem CID 75849735) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-(3-methoxy-4-prop-2-enoxyphenyl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name3-(3-methoxy-4-prop-2-enoxyphenyl)-1-phenylprop-2-en-1-one
PubChem CID75849735
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name3-(3-methoxy-4-prop-2-enoxyphenyl)-1-phenylprop-2-en-1-one
SMILESC=CCOc1ccc(C=CC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C19H18O3/c1-3-13-22-18-12-10-15(14-19(18)21-2)9-11-17(20)16-7-5-4-6-8-16/h3-12,14H,1,13H2,2H3
InChIKeyNBKQUVCPGJUGSS-UHFFFAOYSA-N
XLogP4.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-methoxy-4-prop-2-enoxyphenyl)-1-phenylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(4-hexoxy-3-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 134814022
(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
CID 48550787
(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-1-[3-(tetrazol-1-yl)phenyl]prop-2-en-1-one
CID 8814165
[2-methoxy-4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] 3,4,5-trimethoxybenzoate
CID 6124891
2-[4-[(E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetic acid
CID 8859274
(E)-3-(4-hydroxy-3-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 6266711
(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]prop-2-en-1-one
CID 52658504
2-[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetic acid
CID 8856879
2-benzamido-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoic acid
CID 4768649
(2S)-2-amino-6-(3-methoxy-4-prop-2-enoxyphenyl)-4-oxohex-5-enoic acid
CID 175481033
(E)-N-(2-hydroxyethyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 78783486
(Z)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
CID 92997690

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-prop-2-enoxyphenyl)-1-phenylprop-2-en-1-one?
The IUPAC name of 3-(3-methoxy-4-prop-2-enoxyphenyl)-1-phenylprop-2-en-1-one (CID 75849735) is 3-(3-methoxy-4-prop-2-enoxyphenyl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for 3-(3-methoxy-4-prop-2-enoxyphenyl)-1-phenylprop-2-en-1-one?
The canonical SMILES for 3-(3-methoxy-4-prop-2-enoxyphenyl)-1-phenylprop-2-en-1-one is C=CCOc1ccc(C=CC(=O)c2ccccc2)cc1OC.
What is the InChIKey of 3-(3-methoxy-4-prop-2-enoxyphenyl)-1-phenylprop-2-en-1-one?
The InChIKey is NBKQUVCPGJUGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-3-13-22-18-12-10-15(14-19(18)21-2)9-11-17(20)16-7-5-4-6-8-16/h3-12,14H,1,13H2,2H3.
What are the key properties of 3-(3-methoxy-4-prop-2-enoxyphenyl)-1-phenylprop-2-en-1-one?
3-(3-methoxy-4-prop-2-enoxyphenyl)-1-phenylprop-2-en-1-one has a molecular weight of 294.35 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-prop-2-enoxyphenyl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 75849735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).