4-ethyl-7-[(2-fluorophenyl)methoxy]-8-methylchromen-2-one

C19H17FO3 — CID 881970

IUPAC4-ethyl-7-[(2-fluorophenyl)methoxy]-8-methylchromen-2-one
SMILESCCc1cc(=O)oc2c(C)c(OCc3ccccc3F)ccc12
InChIInChI=1S/C19H17FO3/c1-3-13-10-18(21)23-19-12(2)17(9-8-15(13)19)22-11-14-6-4-5-7-16(14)20/h4-10H,3,11H2,1-2H3
InChIKeyGDAGOSPGQQGYRC-UHFFFAOYSA-N
MW312.34 g/mol
LogP4.38
Rot. Bonds4

About 4-ethyl-7-[(2-fluorophenyl)methoxy]-8-methylchromen-2-one

4-ethyl-7-[(2-fluorophenyl)methoxy]-8-methylchromen-2-one (PubChem CID 881970) has the molecular formula C19H17FO3 and a molecular weight of 312.34 g/mol. Its IUPAC name is 4-ethyl-7-[(2-fluorophenyl)methoxy]-8-methylchromen-2-one.

Molecular Properties

Compound Name4-ethyl-7-[(2-fluorophenyl)methoxy]-8-methylchromen-2-one
PubChem CID881970
Molecular FormulaC19H17FO3
Molecular Weight312.34 g/mol
Exact Mass312.12
IUPAC Name4-ethyl-7-[(2-fluorophenyl)methoxy]-8-methylchromen-2-one
SMILESCCc1cc(=O)oc2c(C)c(OCc3ccccc3F)ccc12
InChIInChI=1S/C19H17FO3/c1-3-13-10-18(21)23-19-12(2)17(9-8-15(13)19)22-11-14-6-4-5-7-16(14)20/h4-10H,3,11H2,1-2H3
InChIKeyGDAGOSPGQQGYRC-UHFFFAOYSA-N
XLogP4.38
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 54.38
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-ethoxyphenyl)methoxy]-4,8-dimethylchromen-2-one
CID 8563743
7-[(3,4-dichlorophenyl)methoxy]-4-ethyl-8-methylchromen-2-one
CID 2299030
7-[(4-ethenylphenyl)methoxy]-4-ethyl-8-methylchromen-2-one
CID 883551
4-butyl-8-methyl-7-phenylmethoxychromen-2-one
CID 2902407
2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetamide
CID 770817
4-ethyl-8-methyl-7-[(1R)-1-phenylethoxy]chromen-2-one
CID 799848
propyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetate
CID 2271747
7,8-dimethyl-4-(phenoxymethyl)chromen-2-one
CID 7818186
4-[(2,4-dichlorophenoxy)methyl]-7-hydroxy-8-methylchromen-2-one
CID 18291345
7-[(2-fluorophenyl)methoxy]-3,4-dimethylchromen-2-one
CID 744840
8-methyl-7-prop-2-enoxy-4-propylchromen-2-one
CID 23459774
(4-ethyl-8-methyl-2-oxochromen-7-yl) furan-2-carboxylate
CID 905836

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-[(2-fluorophenyl)methoxy]-8-methylchromen-2-one?
The IUPAC name of 4-ethyl-7-[(2-fluorophenyl)methoxy]-8-methylchromen-2-one (CID 881970) is 4-ethyl-7-[(2-fluorophenyl)methoxy]-8-methylchromen-2-one.
What is the SMILES notation for 4-ethyl-7-[(2-fluorophenyl)methoxy]-8-methylchromen-2-one?
The canonical SMILES for 4-ethyl-7-[(2-fluorophenyl)methoxy]-8-methylchromen-2-one is CCc1cc(=O)oc2c(C)c(OCc3ccccc3F)ccc12.
What is the InChIKey of 4-ethyl-7-[(2-fluorophenyl)methoxy]-8-methylchromen-2-one?
The InChIKey is GDAGOSPGQQGYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FO3/c1-3-13-10-18(21)23-19-12(2)17(9-8-15(13)19)22-11-14-6-4-5-7-16(14)20/h4-10H,3,11H2,1-2H3.
What are the key properties of 4-ethyl-7-[(2-fluorophenyl)methoxy]-8-methylchromen-2-one?
4-ethyl-7-[(2-fluorophenyl)methoxy]-8-methylchromen-2-one has a molecular weight of 312.34 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-[(2-fluorophenyl)methoxy]-8-methylchromen-2-one is sourced from PubChem (CID 881970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).