4-[(E)-but-2-enoxy]chromen-2-one

C13H12O3 — CID 14904180

IUPAC4-[(E)-but-2-enoxy]chromen-2-one
SMILESC/C=C/COc1cc(=O)oc2ccccc12
InChIInChI=1S/C13H12O3/c1-2-3-8-15-12-9-13(14)16-11-7-5-4-6-10(11)12/h2-7,9H,8H2,1H3/b3-2+
InChIKeyPATZEZHTUKIIGZ-NSCUHMNNSA-N
MW216.24 g/mol
LogP2.75
Rot. Bonds3

About 4-[(E)-but-2-enoxy]chromen-2-one

4-[(E)-but-2-enoxy]chromen-2-one (PubChem CID 14904180) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-[(E)-but-2-enoxy]chromen-2-one.

Molecular Properties

Compound Name4-[(E)-but-2-enoxy]chromen-2-one
PubChem CID14904180
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name4-[(E)-but-2-enoxy]chromen-2-one
SMILESC/C=C/COc1cc(=O)oc2ccccc12
InChIInChI=1S/C13H12O3/c1-2-3-8-15-12-9-13(14)16-11-7-5-4-6-10(11)12/h2-7,9H,8H2,1H3/b3-2+
InChIKeyPATZEZHTUKIIGZ-NSCUHMNNSA-N
XLogP2.75
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(E)-but-2-enoxy]chromen-2-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

4-ethoxychromen-2-one
CID 688703
N-hydroxy-6-(2-oxochromen-4-yl)oxyhexanamide
CID 169095175
N-[2-(2-oxochromen-4-yl)oxyethyl]acetamide
CID 11311185
4-[2-(2-methoxyethoxy)ethoxy]chromen-2-one;2-methylpropanal
CID 164525573
4-[3-(dimethylamino)propoxy]chromen-2-one;4-hydroxychromen-2-one;hydrochloride
CID 158605000
5-(2-oxochromen-4-yl)oxypentyl propanoate
CID 164525276
2-[2-(2-oxochromen-4-yl)oxyethoxy]ethyl 2-methylpropanoate
CID 167114866
ethyl 2-(2-oxochromen-4-yl)oxypropanoate
CID 5135792
1-[(E)-but-2-enoxy]-4-methoxynaphthalene
CID 134894339
3-(2-oxochromen-4-yl)oxypropyl 2-methylbutanoate
CID 164525443
4-(2-morpholin-4-ylethoxy)chromen-2-one
CID 171354921
4-fluorosulfonyloxy-2-oxochromene
CID 121429839

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-2-enoxy]chromen-2-one?
The IUPAC name of 4-[(E)-but-2-enoxy]chromen-2-one (CID 14904180) is 4-[(E)-but-2-enoxy]chromen-2-one.
What is the SMILES notation for 4-[(E)-but-2-enoxy]chromen-2-one?
The canonical SMILES for 4-[(E)-but-2-enoxy]chromen-2-one is C/C=C/COc1cc(=O)oc2ccccc12.
What is the InChIKey of 4-[(E)-but-2-enoxy]chromen-2-one?
The InChIKey is PATZEZHTUKIIGZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H12O3/c1-2-3-8-15-12-9-13(14)16-11-7-5-4-6-10(11)12/h2-7,9H,8H2,1H3/b3-2+.
What are the key properties of 4-[(E)-but-2-enoxy]chromen-2-one?
4-[(E)-but-2-enoxy]chromen-2-one has a molecular weight of 216.24 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-enoxy]chromen-2-one is sourced from PubChem (CID 14904180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).