(4-ethyl-8-methyl-2-oxochromen-7-yl) furan-2-carboxylate

C17H14O5 — CID 905836

IUPAC(4-ethyl-8-methyl-2-oxochromen-7-yl) furan-2-carboxylate
SMILESCCc1cc(=O)oc2c(C)c(OC(=O)c3ccco3)ccc12
InChIInChI=1S/C17H14O5/c1-3-11-9-15(18)22-16-10(2)13(7-6-12(11)16)21-17(19)14-5-4-8-20-14/h4-9H,3H2,1-2H3
InChIKeySAMQDSTVNJLSFF-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.48
Rot. Bonds3

About (4-ethyl-8-methyl-2-oxochromen-7-yl) furan-2-carboxylate

(4-ethyl-8-methyl-2-oxochromen-7-yl) furan-2-carboxylate (PubChem CID 905836) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is (4-ethyl-8-methyl-2-oxochromen-7-yl) furan-2-carboxylate.

Molecular Properties

Compound Name(4-ethyl-8-methyl-2-oxochromen-7-yl) furan-2-carboxylate
PubChem CID905836
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name(4-ethyl-8-methyl-2-oxochromen-7-yl) furan-2-carboxylate
SMILESCCc1cc(=O)oc2c(C)c(OC(=O)c3ccco3)ccc12
InChIInChI=1S/C17H14O5/c1-3-11-9-15(18)22-16-10(2)13(7-6-12(11)16)21-17(19)14-5-4-8-20-14/h4-9H,3H2,1-2H3
InChIKeySAMQDSTVNJLSFF-UHFFFAOYSA-N
XLogP3.48
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(8-methyl-2-oxo-4-propylchromen-7-yl) furan-2-carboxylate
CID 906606
(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) furan-2-carboxylate
CID 705656
2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetamide
CID 770817
7-[(4-ethenylphenyl)methoxy]-4-ethyl-8-methylchromen-2-one
CID 883551
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-[(3,4-dichlorophenyl)methoxy]-4-ethyl-8-methylchromen-2-one
CID 2299030
(7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(furan-2-carbonylamino)benzoate
CID 7841115
4-ethyl-7-[(2-fluorophenyl)methoxy]-8-methylchromen-2-one
CID 881970
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl furan-2-carboxylate
CID 7891680
4-butyl-8-methyl-7-phenylmethoxychromen-2-one
CID 2902407
(4-butyl-8-methyl-2-oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)propanoate
CID 3652151

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-8-methyl-2-oxochromen-7-yl) furan-2-carboxylate?
The IUPAC name of (4-ethyl-8-methyl-2-oxochromen-7-yl) furan-2-carboxylate (CID 905836) is (4-ethyl-8-methyl-2-oxochromen-7-yl) furan-2-carboxylate.
What is the SMILES notation for (4-ethyl-8-methyl-2-oxochromen-7-yl) furan-2-carboxylate?
The canonical SMILES for (4-ethyl-8-methyl-2-oxochromen-7-yl) furan-2-carboxylate is CCc1cc(=O)oc2c(C)c(OC(=O)c3ccco3)ccc12.
What is the InChIKey of (4-ethyl-8-methyl-2-oxochromen-7-yl) furan-2-carboxylate?
The InChIKey is SAMQDSTVNJLSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O5/c1-3-11-9-15(18)22-16-10(2)13(7-6-12(11)16)21-17(19)14-5-4-8-20-14/h4-9H,3H2,1-2H3.
What are the key properties of (4-ethyl-8-methyl-2-oxochromen-7-yl) furan-2-carboxylate?
(4-ethyl-8-methyl-2-oxochromen-7-yl) furan-2-carboxylate has a molecular weight of 298.29 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-8-methyl-2-oxochromen-7-yl) furan-2-carboxylate is sourced from PubChem (CID 905836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).