ethyl 2-(6,7-dimethoxy-2-oxochromen-4-yl)acetate

C15H16O6 — CID 11358293

IUPACethyl 2-(6,7-dimethoxy-2-oxochromen-4-yl)acetate
SMILESCCOC(=O)Cc1cc(=O)oc2cc(OC)c(OC)cc12
InChIInChI=1S/C15H16O6/c1-4-20-14(16)5-9-6-15(17)21-11-8-13(19-3)12(18-2)7-10(9)11/h6-8H,4-5H2,1-3H3
InChIKeyCBUOPNXYLXAZQD-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.92
Rot. Bonds5

About ethyl 2-(6,7-dimethoxy-2-oxochromen-4-yl)acetate

ethyl 2-(6,7-dimethoxy-2-oxochromen-4-yl)acetate (PubChem CID 11358293) has the molecular formula C15H16O6 and a molecular weight of 292.29 g/mol. Its IUPAC name is ethyl 2-(6,7-dimethoxy-2-oxochromen-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6,7-dimethoxy-2-oxochromen-4-yl)acetate
PubChem CID11358293
Molecular FormulaC15H16O6
Molecular Weight292.29 g/mol
Exact Mass292.09
IUPAC Nameethyl 2-(6,7-dimethoxy-2-oxochromen-4-yl)acetate
SMILESCCOC(=O)Cc1cc(=O)oc2cc(OC)c(OC)cc12
InChIInChI=1S/C15H16O6/c1-4-20-14(16)5-9-6-15(17)21-11-8-13(19-3)12(18-2)7-10(9)11/h6-8H,4-5H2,1-3H3
InChIKeyCBUOPNXYLXAZQD-UHFFFAOYSA-N
XLogP1.92
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(6,7-dimethoxy-2-oxochromen-4-yl)acetate
CID 25272422
4-(chloromethyl)-6,7-dimethoxychromen-2-one
CID 12070149
(2R)-2-amino-3-(6,7-dimethoxy-2-oxochromen-4-yl)propanoic acid
CID 15337094
4-ethyl-7-hydroxy-6-methoxychromen-2-one
CID 119087961
(6,7-dimethoxy-2-oxochromen-4-yl)methyl-dimethylsulfanium tetrafluoroborate
CID 139891508
ethyl 2-[6-[(3,5-dihydroxyphenyl)methylideneamino]-7-hydroxy-2-oxochromen-4-yl]acetate
CID 11625144
6-bromo-4-ethyl-7-methoxychromen-2-one
CID 130464576
7-hydroxy-6-methoxy-4-propylchromen-2-one
CID 125486697
(6,7-dimethyl-2-oxochromen-4-yl)methyl 3-ethoxy-4-methoxybenzoate
CID 7558646
(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(4-methoxyphenyl)acetate
CID 7705430
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-(2-methoxyphenyl)acetate
CID 46795057
(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(3,4-dimethylphenyl)acetate
CID 8527160

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6,7-dimethoxy-2-oxochromen-4-yl)acetate?
The IUPAC name of ethyl 2-(6,7-dimethoxy-2-oxochromen-4-yl)acetate (CID 11358293) is ethyl 2-(6,7-dimethoxy-2-oxochromen-4-yl)acetate.
What is the SMILES notation for ethyl 2-(6,7-dimethoxy-2-oxochromen-4-yl)acetate?
The canonical SMILES for ethyl 2-(6,7-dimethoxy-2-oxochromen-4-yl)acetate is CCOC(=O)Cc1cc(=O)oc2cc(OC)c(OC)cc12.
What is the InChIKey of ethyl 2-(6,7-dimethoxy-2-oxochromen-4-yl)acetate?
The InChIKey is CBUOPNXYLXAZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O6/c1-4-20-14(16)5-9-6-15(17)21-11-8-13(19-3)12(18-2)7-10(9)11/h6-8H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(6,7-dimethoxy-2-oxochromen-4-yl)acetate?
ethyl 2-(6,7-dimethoxy-2-oxochromen-4-yl)acetate has a molecular weight of 292.29 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6,7-dimethoxy-2-oxochromen-4-yl)acetate is sourced from PubChem (CID 11358293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).