(8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-ethylphenoxy)acetate

C26H24O8 — CID 19168458

IUPAC(8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)Oc2ccc3c(c2)oc(=O)c2cc(OC)c(OC)c(OC)c23)cc1
InChIInChI=1S/C26H24O8/c1-5-15-6-8-16(9-7-15)32-14-22(27)33-17-10-11-18-20(12-17)34-26(28)19-13-21(29-2)24(30-3)25(31-4)23(18)19/h6-13H,5,14H2,1-4H3
InChIKeyLWALMHGUCCDUEQ-UHFFFAOYSA-N
MW464.47 g/mol
LogP4.52
Rot. Bonds8

About (8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-ethylphenoxy)acetate

(8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-ethylphenoxy)acetate (PubChem CID 19168458) has the molecular formula C26H24O8 and a molecular weight of 464.47 g/mol. Its IUPAC name is (8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-ethylphenoxy)acetate.

Molecular Properties

Compound Name(8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-ethylphenoxy)acetate
PubChem CID19168458
Molecular FormulaC26H24O8
Molecular Weight464.47 g/mol
Exact Mass464.15
IUPAC Name(8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)Oc2ccc3c(c2)oc(=O)c2cc(OC)c(OC)c(OC)c23)cc1
InChIInChI=1S/C26H24O8/c1-5-15-6-8-16(9-7-15)32-14-22(27)33-17-10-11-18-20(12-17)34-26(28)19-13-21(29-2)24(30-3)25(31-4)23(18)19/h6-13H,5,14H2,1-4H3
InChIKeyLWALMHGUCCDUEQ-UHFFFAOYSA-N
XLogP4.52
TPSA93.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 19168767
(8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(2-nitrophenoxy)acetate
CID 23851709
ethyl 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 4914742
phenyl 2-(4-ethylphenoxy)acetate
CID 19178986
(2-oxo-4-phenylchromen-7-yl) 2-(4-methoxyphenoxy)acetate
CID 8839258
(2-methoxyphenyl) 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate
CID 8778428
(2-oxo-4-propylchromen-7-yl) 2-(2-methoxyphenoxy)acetate
CID 7923747
(2,6-dimethoxyphenyl) 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate
CID 7698711
(3,4-dimethylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 9097338
(4-ethyl-2-oxochromen-7-yl) 2-(3-fluorophenoxy)acetate
CID 8879849
(4-chloro-3-methylphenyl) 2-(4-ethylphenoxy)acetate
CID 19178993
5,6,7,8-tetrahydronaphthalen-2-yl 2-(4-ethylphenoxy)acetate
CID 110493680

Frequently Asked Questions

What is the IUPAC name of (8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-ethylphenoxy)acetate?
The IUPAC name of (8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-ethylphenoxy)acetate (CID 19168458) is (8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-ethylphenoxy)acetate.
What is the SMILES notation for (8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-ethylphenoxy)acetate?
The canonical SMILES for (8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-ethylphenoxy)acetate is CCc1ccc(OCC(=O)Oc2ccc3c(c2)oc(=O)c2cc(OC)c(OC)c(OC)c23)cc1.
What is the InChIKey of (8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-ethylphenoxy)acetate?
The InChIKey is LWALMHGUCCDUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O8/c1-5-15-6-8-16(9-7-15)32-14-22(27)33-17-10-11-18-20(12-17)34-26(28)19-13-21(29-2)24(30-3)25(31-4)23(18)19/h6-13H,5,14H2,1-4H3.
What are the key properties of (8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-ethylphenoxy)acetate?
(8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-ethylphenoxy)acetate has a molecular weight of 464.47 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-ethylphenoxy)acetate is sourced from PubChem (CID 19168458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).