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

C24H19NO10 — CID 23851709

IUPAC(8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(2-nitrophenoxy)acetate
SMILESCOc1cc2c(=O)oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc3c2c(OC)c1OC
InChIInChI=1S/C24H19NO10/c1-30-19-11-15-21(23(32-3)22(19)31-2)14-9-8-13(10-18(14)35-24(15)27)34-20(26)12-33-17-7-5-4-6-16(17)25(28)29/h4-11H,12H2,1-3H3
InChIKeyYTNFDCSLJPAGCZ-UHFFFAOYSA-N
MW481.41 g/mol
LogP3.86
Rot. Bonds8

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

(8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(2-nitrophenoxy)acetate (PubChem CID 23851709) has the molecular formula C24H19NO10 and a molecular weight of 481.41 g/mol. Its IUPAC name is (8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(2-nitrophenoxy)acetate.

Molecular Properties

Compound Name(8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(2-nitrophenoxy)acetate
PubChem CID23851709
Molecular FormulaC24H19NO10
Molecular Weight481.41 g/mol
Exact Mass481.10
IUPAC Name(8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(2-nitrophenoxy)acetate
SMILESCOc1cc2c(=O)oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc3c2c(OC)c1OC
InChIInChI=1S/C24H19NO10/c1-30-19-11-15-21(23(32-3)22(19)31-2)14-9-8-13(10-18(14)35-24(15)27)34-20(26)12-33-17-7-5-4-6-16(17)25(28)29/h4-11H,12H2,1-3H3
InChIKeyYTNFDCSLJPAGCZ-UHFFFAOYSA-N
XLogP3.86
TPSA136.57 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.41
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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-(4-ethylphenoxy)acetate
CID 19168458
(4-chloro-3-ethylphenyl) 2-(2-nitrophenoxy)acetate
CID 8920644
(4-iodophenyl) 2-(2-nitrophenoxy)acetate
CID 7924345
[2-amino-3-cyano-4-(3,4,5-trimethoxyphenyl)-4H-chromen-7-yl] 2-(2-nitrophenoxy)acetate
CID 19123438
(2-oxo-4-propylchromen-7-yl) 2-(2-methoxyphenoxy)acetate
CID 7923747
(4-methyl-2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate
CID 3293400
(2-methoxyphenyl) 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate
CID 8778428
(2-nitrophenyl) 3,4,5-trimethoxybenzoate
CID 905326
(2,6-dimethoxyphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7934790
(2-fluorophenyl) 2-(2-nitrophenoxy)acetate
CID 7900804
(2,6-dimethoxyphenyl) 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate
CID 7698711

Frequently Asked Questions

What is the IUPAC name of (8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(2-nitrophenoxy)acetate?
The IUPAC name of (8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(2-nitrophenoxy)acetate (CID 23851709) is (8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(2-nitrophenoxy)acetate.
What is the SMILES notation for (8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(2-nitrophenoxy)acetate?
The canonical SMILES for (8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(2-nitrophenoxy)acetate is COc1cc2c(=O)oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc3c2c(OC)c1OC.
What is the InChIKey of (8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(2-nitrophenoxy)acetate?
The InChIKey is YTNFDCSLJPAGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO10/c1-30-19-11-15-21(23(32-3)22(19)31-2)14-9-8-13(10-18(14)35-24(15)27)34-20(26)12-33-17-7-5-4-6-16(17)25(28)29/h4-11H,12H2,1-3H3.
What are the key properties of (8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(2-nitrophenoxy)acetate?
(8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(2-nitrophenoxy)acetate has a molecular weight of 481.41 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(2-nitrophenoxy)acetate is sourced from PubChem (CID 23851709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).