7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one

C23H18O7 — CID 139788868

IUPAC7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one
SMILESCCOc1ccc2cc(C(=O)c3cc4ccc(OCC)cc4oc3=O)c(=O)oc2c1
InChIInChI=1S/C23H18O7/c1-3-27-15-7-5-13-9-17(22(25)29-19(13)11-15)21(24)18-10-14-6-8-16(28-4-2)12-20(14)30-23(18)26/h5-12H,3-4H2,1-2H3
InChIKeyBGCNGKCWBDNWPB-UHFFFAOYSA-N
MW406.39 g/mol
LogP3.93
Rot. Bonds6

About 7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one

7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one (PubChem CID 139788868) has the molecular formula C23H18O7 and a molecular weight of 406.39 g/mol. Its IUPAC name is 7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one.

Molecular Properties

Compound Name7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one
PubChem CID139788868
Molecular FormulaC23H18O7
Molecular Weight406.39 g/mol
Exact Mass406.11
IUPAC Name7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one
SMILESCCOc1ccc2cc(C(=O)c3cc4ccc(OCC)cc4oc3=O)c(=O)oc2c1
InChIInChI=1S/C23H18O7/c1-3-27-15-7-5-13-9-17(22(25)29-19(13)11-15)21(24)18-10-14-6-8-16(28-4-2)12-20(14)30-23(18)26/h5-12H,3-4H2,1-2H3
InChIKeyBGCNGKCWBDNWPB-UHFFFAOYSA-N
XLogP3.93
TPSA95.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-ethoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide
CID 5262767
7-ethoxy-N-(4-ethylphenyl)-2-oxochromene-3-carboxamide
CID 5262694
3-acetyl-7-butoxychromen-2-one
CID 166072598
N'-(7-ethoxy-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide
CID 5263160
N'-(2-bromobenzoyl)-7-ethoxy-2-oxochromene-3-carbohydrazide
CID 5263152
N-(2,5-dimethylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262710
N-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262992
ethyl 7-(3-chloropropoxy)-2-oxochromene-3-carboxylate
CID 168865434
7-ethoxy-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide
CID 5262910
methyl 2-[(7-ethoxy-2-oxochromene-3-carbonyl)amino]benzoate
CID 5262911
7-octoxy-2-oxochromene-3-carboxylic acid
CID 21182395
1-(6-ethoxy-1-benzofuran-2-yl)ethanone
CID 146562669

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one?
The IUPAC name of 7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one (CID 139788868) is 7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one.
What is the SMILES notation for 7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one?
The canonical SMILES for 7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one is CCOc1ccc2cc(C(=O)c3cc4ccc(OCC)cc4oc3=O)c(=O)oc2c1.
What is the InChIKey of 7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one?
The InChIKey is BGCNGKCWBDNWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O7/c1-3-27-15-7-5-13-9-17(22(25)29-19(13)11-15)21(24)18-10-14-6-8-16(28-4-2)12-20(14)30-23(18)26/h5-12H,3-4H2,1-2H3.
What are the key properties of 7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one?
7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one has a molecular weight of 406.39 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one is sourced from PubChem (CID 139788868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).