(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-oxochromene-3-carboxylate

C22H14O6 — CID 19170323

IUPAC(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-oxochromene-3-carboxylate
SMILESO=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1cc2ccccc2oc1=O
InChIInChI=1S/C22H14O6/c23-20-16-6-3-5-14(16)15-9-8-13(11-19(15)28-20)26-21(24)17-10-12-4-1-2-7-18(12)27-22(17)25/h1-2,4,7-11H,3,5-6H2
InChIKeyLRGSTUUCUHBKMV-UHFFFAOYSA-N
MW374.35 g/mol
LogP3.61
Rot. Bonds2

About (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-oxochromene-3-carboxylate

(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-oxochromene-3-carboxylate (PubChem CID 19170323) has the molecular formula C22H14O6 and a molecular weight of 374.35 g/mol. Its IUPAC name is (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-oxochromene-3-carboxylate.

Molecular Properties

Compound Name(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-oxochromene-3-carboxylate
PubChem CID19170323
Molecular FormulaC22H14O6
Molecular Weight374.35 g/mol
Exact Mass374.08
IUPAC Name(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-oxochromene-3-carboxylate
SMILESO=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1cc2ccccc2oc1=O
InChIInChI=1S/C22H14O6/c23-20-16-6-3-5-14(16)15-9-8-13(11-19(15)28-20)26-21(24)17-10-12-4-1-2-7-18(12)27-22(17)25/h1-2,4,7-11H,3,5-6H2
InChIKeyLRGSTUUCUHBKMV-UHFFFAOYSA-N
XLogP3.61
TPSA86.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 53.61
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

(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate
CID 764192
naphthalen-2-yl 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate
CID 7926793
(4-oxo-3-phenylchromen-7-yl) 2-oxochromene-3-carboxylate
CID 992388
(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) (E)-3-phenylprop-2-enoate
CID 815535
[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 2-oxochromene-3-carboxylate
CID 19186639
(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) cyclopentanecarboxylate
CID 18266819
(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-(methylsulfonylmethyl)benzoate
CID 16562997
(2S)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-2-phenylacetic acid
CID 705666
(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) (E)-3-(2,6-dichlorophenyl)prop-2-enoate
CID 19177693
2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxymethyl]benzoic acid
CID 20990096
(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 16561146
ethyl 7-(1-benzofuran-2-carbonyloxy)-2-oxochromene-3-carboxylate
CID 19189332

Frequently Asked Questions

What is the IUPAC name of (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-oxochromene-3-carboxylate?
The IUPAC name of (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-oxochromene-3-carboxylate (CID 19170323) is (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-oxochromene-3-carboxylate.
What is the SMILES notation for (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-oxochromene-3-carboxylate?
The canonical SMILES for (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-oxochromene-3-carboxylate is O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1cc2ccccc2oc1=O.
What is the InChIKey of (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-oxochromene-3-carboxylate?
The InChIKey is LRGSTUUCUHBKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O6/c23-20-16-6-3-5-14(16)15-9-8-13(11-19(15)28-20)26-21(24)17-10-12-4-1-2-7-18(12)27-22(17)25/h1-2,4,7-11H,3,5-6H2.
What are the key properties of (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-oxochromene-3-carboxylate?
(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-oxochromene-3-carboxylate has a molecular weight of 374.35 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-oxochromene-3-carboxylate is sourced from PubChem (CID 19170323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).