ethyl 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetate

C18H16O6 — CID 4914742

IUPACethyl 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetate
SMILESCCOC(=O)COc1ccc2c(c1)oc(=O)c1cc(OC)ccc12
InChIInChI=1S/C18H16O6/c1-3-22-17(19)10-23-12-5-7-14-13-6-4-11(21-2)8-15(13)18(20)24-16(14)9-12/h4-9H,3,10H2,1-2H3
InChIKeyAHJWYSVBLSXCIV-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.90
Rot. Bonds5

About ethyl 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetate

ethyl 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetate (PubChem CID 4914742) has the molecular formula C18H16O6 and a molecular weight of 328.32 g/mol. Its IUPAC name is ethyl 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetate.

Molecular Properties

Compound Nameethyl 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetate
PubChem CID4914742
Molecular FormulaC18H16O6
Molecular Weight328.32 g/mol
Exact Mass328.09
IUPAC Nameethyl 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetate
SMILESCCOC(=O)COc1ccc2c(c1)oc(=O)c1cc(OC)ccc12
InChIInChI=1S/C18H16O6/c1-3-22-17(19)10-23-12-5-7-14-13-6-4-11(21-2)8-15(13)18(20)24-16(14)9-12/h4-9H,3,10H2,1-2H3
InChIKeyAHJWYSVBLSXCIV-UHFFFAOYSA-N
XLogP2.90
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'coumarin_A(2)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 1072484
3-(3,3-dimethyl-2-oxobutoxy)-8-methoxybenzo[c]chromen-6-one
CID 1332673
ethyl 2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetate
CID 2055070
8-methoxy-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzo[c]chromen-6-one
CID 2938022
8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one
CID 1347567
ethyl 2-(4-methyl-2-oxo-3-undecylchromen-7-yl)oxyacetate
CID 146164206
2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxypropanoic acid
CID 2906441
2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)acetamide
CID 175862262
3-[4-(diethylamino)butoxy]-8-methoxybenzo[c]chromen-6-one
CID 169099666
(7-methoxy-2-oxochromen-4-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4857472
2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxy-N-(oxolan-2-ylmethyl)acetamide
CID 4914850
propan-2-yl 2-(6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 701972

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetate?
The IUPAC name of ethyl 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetate (CID 4914742) is ethyl 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetate.
What is the SMILES notation for ethyl 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetate?
The canonical SMILES for ethyl 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetate is CCOC(=O)COc1ccc2c(c1)oc(=O)c1cc(OC)ccc12.
What is the InChIKey of ethyl 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetate?
The InChIKey is AHJWYSVBLSXCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O6/c1-3-22-17(19)10-23-12-5-7-14-13-6-4-11(21-2)8-15(13)18(20)24-16(14)9-12/h4-9H,3,10H2,1-2H3.
What are the key properties of ethyl 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetate?
ethyl 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetate has a molecular weight of 328.32 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetate is sourced from PubChem (CID 4914742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).