3-(3-ethoxy-4-prop-2-ynoxyphenyl)-1-phenylprop-2-en-1-one

C20H18O3 — CID 2930717

IUPAC3-(3-ethoxy-4-prop-2-ynoxyphenyl)-1-phenylprop-2-en-1-one
SMILESC#CCOc1ccc(C=CC(=O)c2ccccc2)cc1OCC
InChIInChI=1S/C20H18O3/c1-3-14-23-19-13-11-16(15-20(19)22-4-2)10-12-18(21)17-8-6-5-7-9-17/h1,5-13,15H,4,14H2,2H3
InChIKeyVONJJJOUIGEMCD-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.99
Rot. Bonds7

About 3-(3-ethoxy-4-prop-2-ynoxyphenyl)-1-phenylprop-2-en-1-one

3-(3-ethoxy-4-prop-2-ynoxyphenyl)-1-phenylprop-2-en-1-one (PubChem CID 2930717) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is 3-(3-ethoxy-4-prop-2-ynoxyphenyl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name3-(3-ethoxy-4-prop-2-ynoxyphenyl)-1-phenylprop-2-en-1-one
PubChem CID2930717
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name3-(3-ethoxy-4-prop-2-ynoxyphenyl)-1-phenylprop-2-en-1-one
SMILESC#CCOc1ccc(C=CC(=O)c2ccccc2)cc1OCC
InChIInChI=1S/C20H18O3/c1-3-14-23-19-13-11-16(15-20(19)22-4-2)10-12-18(21)17-8-6-5-7-9-17/h1,5-13,15H,4,14H2,2H3
InChIKeyVONJJJOUIGEMCD-UHFFFAOYSA-N
XLogP3.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-ethoxy-4-prop-2-ynoxyphenyl)-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-(3-ethoxy-4-prop-2-ynoxyphenyl)-1-(3-nitrophenyl)prop-2-en-1-one
CID 7946606
(E)-1-(3,4-difluorophenyl)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)prop-2-en-1-one
CID 8826795
2-[2-ethoxy-4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]-N,N-dimethylacetamide
CID 8832683
(E)-3-[3-ethoxy-4-(2-phenylethoxy)phenyl]-1-phenylprop-2-en-1-one
CID 50884823
(E)-1-(2,5-dimethylfuran-3-yl)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)prop-2-en-1-one
CID 9034140
(E)-3-[4-(cyanomethoxy)-3-ethoxyphenyl]prop-2-enoic acid
CID 19617846
(E)-3-(3-ethoxy-4-phenylmethoxyphenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 8854326
(E)-3-(3-ethoxy-4-propoxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one
CID 9448246
4-[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]benzonitrile
CID 27112216
3-(3-methoxy-4-prop-2-enoxyphenyl)-1-phenylprop-2-en-1-one
CID 75849735
(E)-1-(3,4-diethoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one
CID 6146865
N-[2-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide
CID 38203835

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-4-prop-2-ynoxyphenyl)-1-phenylprop-2-en-1-one?
The IUPAC name of 3-(3-ethoxy-4-prop-2-ynoxyphenyl)-1-phenylprop-2-en-1-one (CID 2930717) is 3-(3-ethoxy-4-prop-2-ynoxyphenyl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for 3-(3-ethoxy-4-prop-2-ynoxyphenyl)-1-phenylprop-2-en-1-one?
The canonical SMILES for 3-(3-ethoxy-4-prop-2-ynoxyphenyl)-1-phenylprop-2-en-1-one is C#CCOc1ccc(C=CC(=O)c2ccccc2)cc1OCC.
What is the InChIKey of 3-(3-ethoxy-4-prop-2-ynoxyphenyl)-1-phenylprop-2-en-1-one?
The InChIKey is VONJJJOUIGEMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-3-14-23-19-13-11-16(15-20(19)22-4-2)10-12-18(21)17-8-6-5-7-9-17/h1,5-13,15H,4,14H2,2H3.
What are the key properties of 3-(3-ethoxy-4-prop-2-ynoxyphenyl)-1-phenylprop-2-en-1-one?
3-(3-ethoxy-4-prop-2-ynoxyphenyl)-1-phenylprop-2-en-1-one has a molecular weight of 306.36 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-4-prop-2-ynoxyphenyl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 2930717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).