3-[(E)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enoyl]-6-methylpyran-2,4-dione

C20H22O6 — CID 42998258

IUPAC3-[(E)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enoyl]-6-methylpyran-2,4-dione
SMILESCCCOc1c(/C=C/C(=O)C2C(=O)C=C(C)OC2=O)cccc1OCC
InChIInChI=1S/C20H22O6/c1-4-11-25-19-14(7-6-8-17(19)24-5-2)9-10-15(21)18-16(22)12-13(3)26-20(18)23/h6-10,12,18H,4-5,11H2,1-3H3/b10-9+
InChIKeyFHRSASUEDFXZFR-MDZDMXLPSA-N
MW358.39 g/mol
LogP3.10
Rot. Bonds8

About 3-[(E)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enoyl]-6-methylpyran-2,4-dione

3-[(E)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enoyl]-6-methylpyran-2,4-dione (PubChem CID 42998258) has the molecular formula C20H22O6 and a molecular weight of 358.39 g/mol. Its IUPAC name is 3-[(E)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enoyl]-6-methylpyran-2,4-dione.

Molecular Properties

Compound Name3-[(E)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enoyl]-6-methylpyran-2,4-dione
PubChem CID42998258
Molecular FormulaC20H22O6
Molecular Weight358.39 g/mol
Exact Mass358.14
IUPAC Name3-[(E)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enoyl]-6-methylpyran-2,4-dione
SMILESCCCOc1c(/C=C/C(=O)C2C(=O)C=C(C)OC2=O)cccc1OCC
InChIInChI=1S/C20H22O6/c1-4-11-25-19-14(7-6-8-17(19)24-5-2)9-10-15(21)18-16(22)12-13(3)26-20(18)23/h6-10,12,18H,4-5,11H2,1-3H3/b10-9+
InChIKeyFHRSASUEDFXZFR-MDZDMXLPSA-N
XLogP3.10
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[(E)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enoyl]-6-methylpyran-2,4-dione 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

6-methyl-3-[3-(2-phenylmethoxyphenyl)prop-2-enoyl]pyran-2,4-dione
CID 5144938
(3S)-3-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-6-methylpyran-2,4-dione
CID 2109977
3-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-6-methylpyran-2,4-dione
CID 6145073
3-[(E)-3-(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]-6-methylpyran-2,4-dione
CID 42998254
2-[4-[(E)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enoyl]phenoxy]acetonitrile
CID 16555434
3-(2-ethoxy-6-formylphenoxy)propanoic acid
CID 63950736
6-[(E)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one
CID 7638176
3-[(E)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoyl]-6-methylpyran-2,4-dione
CID 6173988
(E)-3-(3-ethoxy-2-prop-2-ynoxyphenyl)prop-2-enoic acid
CID 43366626
3-(2,3-dihexoxyphenyl)prop-2-enoic acid
CID 151218954
(E)-3-(2-ethoxy-3-methoxyphenyl)prop-2-enoyl chloride
CID 82041550
3-ethoxy-2-propoxyphenol
CID 174814735

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enoyl]-6-methylpyran-2,4-dione?
The IUPAC name of 3-[(E)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enoyl]-6-methylpyran-2,4-dione (CID 42998258) is 3-[(E)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enoyl]-6-methylpyran-2,4-dione.
What is the SMILES notation for 3-[(E)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enoyl]-6-methylpyran-2,4-dione?
The canonical SMILES for 3-[(E)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enoyl]-6-methylpyran-2,4-dione is CCCOc1c(/C=C/C(=O)C2C(=O)C=C(C)OC2=O)cccc1OCC.
What is the InChIKey of 3-[(E)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enoyl]-6-methylpyran-2,4-dione?
The InChIKey is FHRSASUEDFXZFR-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H22O6/c1-4-11-25-19-14(7-6-8-17(19)24-5-2)9-10-15(21)18-16(22)12-13(3)26-20(18)23/h6-10,12,18H,4-5,11H2,1-3H3/b10-9+.
What are the key properties of 3-[(E)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enoyl]-6-methylpyran-2,4-dione?
3-[(E)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enoyl]-6-methylpyran-2,4-dione has a molecular weight of 358.39 g/mol, XLogP of 3.10, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enoyl]-6-methylpyran-2,4-dione is sourced from PubChem (CID 42998258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).