7-ethoxy-4-phenylchromen-2-one

C17H14O3 — CID 678937

IUPAC7-ethoxy-4-phenylchromen-2-one
SMILESCCOc1ccc2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C17H14O3/c1-2-19-13-8-9-14-15(12-6-4-3-5-7-12)11-17(18)20-16(14)10-13/h3-11H,2H2,1H3
InChIKeyPWBXCAUFJPXZFV-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.86
Rot. Bonds3

About 7-ethoxy-4-phenylchromen-2-one

7-ethoxy-4-phenylchromen-2-one (PubChem CID 678937) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 7-ethoxy-4-phenylchromen-2-one.

Molecular Properties

Compound Name7-ethoxy-4-phenylchromen-2-one
PubChem CID678937
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name7-ethoxy-4-phenylchromen-2-one
SMILESCCOc1ccc2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C17H14O3/c1-2-19-13-8-9-14-15(12-6-4-3-5-7-12)11-17(18)20-16(14)10-13/h3-11H,2H2,1H3
InChIKeyPWBXCAUFJPXZFV-UHFFFAOYSA-N
XLogP3.86
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-(2-methylprop-2-enoxy)-4-phenylchromen-2-one
CID 701624
7-[(2E)-2-hydroxyiminopropoxy]-4-phenylchromen-2-one
CID 5416833
ethyl N-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]carbamate
CID 7996380
tert-butyl 2-(2-oxo-4-phenylchromen-7-yl)oxyacetate
CID 988853
7-[(2E)-2-hydroxyimino-2-phenylethoxy]-4-phenylchromen-2-one
CID 6371350
ethyl (2S)-2-(2-oxo-4-phenylchromen-7-yl)oxy-2-phenylacetate
CID 2277249
7-ethoxy-6-ethyl-4-phenylchromen-2-one
CID 2888002
4-[(2-oxo-4-phenylchromen-7-yl)oxymethyl]benzoic acid
CID 989087
(6R)-5-ethoxy-3-methyl-4-[(2-oxo-4-phenylchromen-7-yl)oxymethyl]-6-phenyl-1,6-dihydropyrimidin-2-one
CID 1182472
propan-2-yl 2-(2-oxo-4-phenylchromen-7-yl)oxybutanoate
CID 23878292
(2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid
CID 5428805
N-methyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]acetamide
CID 8806134

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-4-phenylchromen-2-one?
The IUPAC name of 7-ethoxy-4-phenylchromen-2-one (CID 678937) is 7-ethoxy-4-phenylchromen-2-one.
What is the SMILES notation for 7-ethoxy-4-phenylchromen-2-one?
The canonical SMILES for 7-ethoxy-4-phenylchromen-2-one is CCOc1ccc2c(-c3ccccc3)cc(=O)oc2c1.
What is the InChIKey of 7-ethoxy-4-phenylchromen-2-one?
The InChIKey is PWBXCAUFJPXZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-2-19-13-8-9-14-15(12-6-4-3-5-7-12)11-17(18)20-16(14)10-13/h3-11H,2H2,1H3.
What are the key properties of 7-ethoxy-4-phenylchromen-2-one?
7-ethoxy-4-phenylchromen-2-one has a molecular weight of 266.30 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-4-phenylchromen-2-one is sourced from PubChem (CID 678937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).