(4-oxo-3-phenylchromen-7-yl) 2-oxochromene-3-carboxylate

C25H14O6 — CID 992388

IUPAC(4-oxo-3-phenylchromen-7-yl) 2-oxochromene-3-carboxylate
SMILESO=C(Oc1ccc2c(=O)c(-c3ccccc3)coc2c1)c1cc2ccccc2oc1=O
InChIInChI=1S/C25H14O6/c26-23-18-11-10-17(13-22(18)29-14-20(23)15-6-2-1-3-7-15)30-24(27)19-12-16-8-4-5-9-21(16)31-25(19)28/h1-14H
InChIKeyQVAFQTLPFGNJFC-UHFFFAOYSA-N
MW410.38 g/mol
LogP4.79
Rot. Bonds3

About (4-oxo-3-phenylchromen-7-yl) 2-oxochromene-3-carboxylate

(4-oxo-3-phenylchromen-7-yl) 2-oxochromene-3-carboxylate (PubChem CID 992388) has the molecular formula C25H14O6 and a molecular weight of 410.38 g/mol. Its IUPAC name is (4-oxo-3-phenylchromen-7-yl) 2-oxochromene-3-carboxylate.

Molecular Properties

Compound Name(4-oxo-3-phenylchromen-7-yl) 2-oxochromene-3-carboxylate
PubChem CID992388
Molecular FormulaC25H14O6
Molecular Weight410.38 g/mol
Exact Mass410.08
IUPAC Name(4-oxo-3-phenylchromen-7-yl) 2-oxochromene-3-carboxylate
SMILESO=C(Oc1ccc2c(=O)c(-c3ccccc3)coc2c1)c1cc2ccccc2oc1=O
InChIInChI=1S/C25H14O6/c26-23-18-11-10-17(13-22(18)29-14-20(23)15-6-2-1-3-7-15)30-24(27)19-12-16-8-4-5-9-21(16)31-25(19)28/h1-14H
InChIKeyQVAFQTLPFGNJFC-UHFFFAOYSA-N
XLogP4.79
TPSA86.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl] 2-oxochromene-3-carboxylate
CID 1179727
(4-oxo-3-phenylchromen-7-yl) 2-(2-phenylethyl)benzoate
CID 23965174
[3-(4-chlorophenyl)-4-oxochromen-7-yl] 2-chlorobenzoate
CID 2033076
(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-oxochromene-3-carboxylate
CID 19170323
(4-oxo-3-phenylchromen-7-yl) 3-methyl-2-nitrobenzoate
CID 8912910
(4-oxo-3-phenylchromen-7-yl) 4-[hydroxy(oxido)amino]benzoate
CID 163174040
(4-oxo-3-phenylchromen-7-yl) 2-phenoxyacetate
CID 8913011
(4-oxo-3-phenylchromen-7-yl) 2-methoxyacetate
CID 23965769
7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one
CID 101159250
(4-oxo-3-phenylchromen-7-yl) 2-chloro-2-phenylacetate
CID 110274410
2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
CID 15122627
(4-oxo-3-phenylchromen-7-yl) 3-[hydroxy(oxido)amino]benzoate
CID 163179011

Frequently Asked Questions

What is the IUPAC name of (4-oxo-3-phenylchromen-7-yl) 2-oxochromene-3-carboxylate?
The IUPAC name of (4-oxo-3-phenylchromen-7-yl) 2-oxochromene-3-carboxylate (CID 992388) is (4-oxo-3-phenylchromen-7-yl) 2-oxochromene-3-carboxylate.
What is the SMILES notation for (4-oxo-3-phenylchromen-7-yl) 2-oxochromene-3-carboxylate?
The canonical SMILES for (4-oxo-3-phenylchromen-7-yl) 2-oxochromene-3-carboxylate is O=C(Oc1ccc2c(=O)c(-c3ccccc3)coc2c1)c1cc2ccccc2oc1=O.
What is the InChIKey of (4-oxo-3-phenylchromen-7-yl) 2-oxochromene-3-carboxylate?
The InChIKey is QVAFQTLPFGNJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14O6/c26-23-18-11-10-17(13-22(18)29-14-20(23)15-6-2-1-3-7-15)30-24(27)19-12-16-8-4-5-9-21(16)31-25(19)28/h1-14H.
What are the key properties of (4-oxo-3-phenylchromen-7-yl) 2-oxochromene-3-carboxylate?
(4-oxo-3-phenylchromen-7-yl) 2-oxochromene-3-carboxylate has a molecular weight of 410.38 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-3-phenylchromen-7-yl) 2-oxochromene-3-carboxylate is sourced from PubChem (CID 992388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).