(2S,6S)-2-(1-ethoxyethoxy)-6-[(E)-2-phenylethenyl]-2H-pyran-5-one

C17H20O4 — CID 14807189

IUPAC(2S,6S)-2-(1-ethoxyethoxy)-6-[(E)-2-phenylethenyl]-2H-pyran-5-one
SMILESCCOC(C)O[C@H]1C=CC(=O)[C@H](/C=C/c2ccccc2)O1
InChIInChI=1S/C17H20O4/c1-3-19-13(2)20-17-12-10-15(18)16(21-17)11-9-14-7-5-4-6-8-14/h4-13,16-17H,3H2,1-2H3/b11-9+/t13?,16-,17+/m0/s1
InChIKeyHZEZAAUFHJKCNE-KMDUORPMSA-N
MW288.34 g/mol
LogP2.95
Rot. Bonds6

About (2S,6S)-2-(1-ethoxyethoxy)-6-[(E)-2-phenylethenyl]-2H-pyran-5-one

(2S,6S)-2-(1-ethoxyethoxy)-6-[(E)-2-phenylethenyl]-2H-pyran-5-one (PubChem CID 14807189) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is (2S,6S)-2-(1-ethoxyethoxy)-6-[(E)-2-phenylethenyl]-2H-pyran-5-one.

Molecular Properties

Compound Name(2S,6S)-2-(1-ethoxyethoxy)-6-[(E)-2-phenylethenyl]-2H-pyran-5-one
PubChem CID14807189
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name(2S,6S)-2-(1-ethoxyethoxy)-6-[(E)-2-phenylethenyl]-2H-pyran-5-one
SMILESCCOC(C)O[C@H]1C=CC(=O)[C@H](/C=C/c2ccccc2)O1
InChIInChI=1S/C17H20O4/c1-3-19-13(2)20-17-12-10-15(18)16(21-17)11-9-14-7-5-4-6-8-14/h4-13,16-17H,3H2,1-2H3/b11-9+/t13?,16-,17+/m0/s1
InChIKeyHZEZAAUFHJKCNE-KMDUORPMSA-N
XLogP2.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2S,6S)-2-(1-ethoxyethoxy)-6-[(E)-2-phenylethenyl]-2H-pyran-5-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

(+)-(R,E)-2-Benzyloxy-7,7-dimethoxy-hept-4-en-3-one
CID 24746754
(E)-1-Benzyloxy-6,6-dimethoxy-hex-3-en-2-one
CID 16745970
(-)-(S,Z)-2-Benzyloxy-7,7-dimethoxy-hept-4-en-3-one
CID 24746755
(-)-(S,E)-2-Benzyloxy-7,7-dimethoxy-hept-4-en-3-one
CID 24747712
(E)-1,1-dimethoxy-4-phenylbut-3-en-2-one
CID 12243178
ethyl 2-[[(2R,6S)-6-(acetyloxymethyl)-3,6-dihydro-2H-pyran-2-yl]oxy]-3-(2-fluorophenyl)prop-2-enoate
CID 123622178
ethyl 2-[[(2R,6S)-6-(acetyloxymethyl)-3,6-dihydro-2H-pyran-2-yl]oxy]-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 123823191
ethyl 2-[[(2R,6S)-6-(acetyloxymethyl)-3,6-dihydro-2H-pyran-2-yl]oxy]-3-(3-fluorophenyl)prop-2-enoate
CID 123843553
(Z)-1-Benzyloxy-6,6-dimethoxy-hex-3-en-2-one
CID 23640762
(+)-(R,Z)-2-Benzyloxy-7,7-dimethoxy-hept-4-en-3-one
CID 24746760
4,6-dimethoxy-6-[(E)-2-phenylethenyl]pyran-2,5-dione
CID 5386973
Obtusaquinone deriv jurd 2068
CID 5996192

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-(1-ethoxyethoxy)-6-[(E)-2-phenylethenyl]-2H-pyran-5-one?
The IUPAC name of (2S,6S)-2-(1-ethoxyethoxy)-6-[(E)-2-phenylethenyl]-2H-pyran-5-one (CID 14807189) is (2S,6S)-2-(1-ethoxyethoxy)-6-[(E)-2-phenylethenyl]-2H-pyran-5-one.
What is the SMILES notation for (2S,6S)-2-(1-ethoxyethoxy)-6-[(E)-2-phenylethenyl]-2H-pyran-5-one?
The canonical SMILES for (2S,6S)-2-(1-ethoxyethoxy)-6-[(E)-2-phenylethenyl]-2H-pyran-5-one is CCOC(C)O[C@H]1C=CC(=O)[C@H](/C=C/c2ccccc2)O1.
What is the InChIKey of (2S,6S)-2-(1-ethoxyethoxy)-6-[(E)-2-phenylethenyl]-2H-pyran-5-one?
The InChIKey is HZEZAAUFHJKCNE-KMDUORPMSA-N. The full InChI is InChI=1S/C17H20O4/c1-3-19-13(2)20-17-12-10-15(18)16(21-17)11-9-14-7-5-4-6-8-14/h4-13,16-17H,3H2,1-2H3/b11-9+/t13?,16-,17+/m0/s1.
What are the key properties of (2S,6S)-2-(1-ethoxyethoxy)-6-[(E)-2-phenylethenyl]-2H-pyran-5-one?
(2S,6S)-2-(1-ethoxyethoxy)-6-[(E)-2-phenylethenyl]-2H-pyran-5-one has a molecular weight of 288.34 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-(1-ethoxyethoxy)-6-[(E)-2-phenylethenyl]-2H-pyran-5-one is sourced from PubChem (CID 14807189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).