(2-oxochromen-7-yl) 3-methylbenzo[g][1]benzofuran-2-carboxylate

C23H14O5 — CID 7920887

IUPAC(2-oxochromen-7-yl) 3-methylbenzo[g][1]benzofuran-2-carboxylate
SMILESCc1c(C(=O)Oc2ccc3ccc(=O)oc3c2)oc2c1ccc1ccccc12
InChIInChI=1S/C23H14O5/c1-13-17-10-7-14-4-2-3-5-18(14)22(17)28-21(13)23(25)26-16-9-6-15-8-11-20(24)27-19(15)12-16/h2-12H,1H3
InChIKeyFVFMGKVUYQYRCY-UHFFFAOYSA-N
MW370.36 g/mol
LogP5.22
Rot. Bonds2

About (2-oxochromen-7-yl) 3-methylbenzo[g][1]benzofuran-2-carboxylate

(2-oxochromen-7-yl) 3-methylbenzo[g][1]benzofuran-2-carboxylate (PubChem CID 7920887) has the molecular formula C23H14O5 and a molecular weight of 370.36 g/mol. Its IUPAC name is (2-oxochromen-7-yl) 3-methylbenzo[g][1]benzofuran-2-carboxylate.

Molecular Properties

Compound Name(2-oxochromen-7-yl) 3-methylbenzo[g][1]benzofuran-2-carboxylate
PubChem CID7920887
Molecular FormulaC23H14O5
Molecular Weight370.36 g/mol
Exact Mass370.08
IUPAC Name(2-oxochromen-7-yl) 3-methylbenzo[g][1]benzofuran-2-carboxylate
SMILESCc1c(C(=O)Oc2ccc3ccc(=O)oc3c2)oc2c1ccc1ccccc12
InChIInChI=1S/C23H14O5/c1-13-17-10-7-14-4-2-3-5-18(14)22(17)28-21(13)23(25)26-16-9-6-15-8-11-20(24)27-19(15)12-16/h2-12H,1H3
InChIKeyFVFMGKVUYQYRCY-UHFFFAOYSA-N
XLogP5.22
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.36
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-oxochromen-7-yl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 8921115
(2-oxochromen-7-yl) 2-chlorobenzoate
CID 964640
(2-oxochromen-7-yl) butanoate
CID 781717
3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide
CID 119430725
(2-oxochromen-7-yl) 3-methoxybenzoate
CID 906993
(2-oxochromen-7-yl) 2-(2-methylphenoxy)acetate
CID 7920974
(2-oxochromen-7-yl) (3R)-3-phenylbutanoate
CID 7920875
(2-oxochromen-7-yl) 2-methylpropanoate
CID 10966364
3-hydroxy-4-methylbenzo[h]chromen-2-one
CID 154018255
(2-oxochromen-7-yl) 3-fluorobenzoate
CID 7920952
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-methylbenzo[g][1]benzofuran-2-carboxylate
CID 30591489
ethyl 7-(1-benzofuran-2-carbonyloxy)-2-oxochromene-3-carboxylate
CID 19189332

Frequently Asked Questions

What is the IUPAC name of (2-oxochromen-7-yl) 3-methylbenzo[g][1]benzofuran-2-carboxylate?
The IUPAC name of (2-oxochromen-7-yl) 3-methylbenzo[g][1]benzofuran-2-carboxylate (CID 7920887) is (2-oxochromen-7-yl) 3-methylbenzo[g][1]benzofuran-2-carboxylate.
What is the SMILES notation for (2-oxochromen-7-yl) 3-methylbenzo[g][1]benzofuran-2-carboxylate?
The canonical SMILES for (2-oxochromen-7-yl) 3-methylbenzo[g][1]benzofuran-2-carboxylate is Cc1c(C(=O)Oc2ccc3ccc(=O)oc3c2)oc2c1ccc1ccccc12.
What is the InChIKey of (2-oxochromen-7-yl) 3-methylbenzo[g][1]benzofuran-2-carboxylate?
The InChIKey is FVFMGKVUYQYRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14O5/c1-13-17-10-7-14-4-2-3-5-18(14)22(17)28-21(13)23(25)26-16-9-6-15-8-11-20(24)27-19(15)12-16/h2-12H,1H3.
What are the key properties of (2-oxochromen-7-yl) 3-methylbenzo[g][1]benzofuran-2-carboxylate?
(2-oxochromen-7-yl) 3-methylbenzo[g][1]benzofuran-2-carboxylate has a molecular weight of 370.36 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxochromen-7-yl) 3-methylbenzo[g][1]benzofuran-2-carboxylate is sourced from PubChem (CID 7920887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).