(4-ethyl-2-oxochromen-7-yl) 2-(6-methoxy-1-benzofuran-3-yl)acetate

C22H18O6 — CID 7925896

IUPAC(4-ethyl-2-oxochromen-7-yl) 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCCc1cc(=O)oc2cc(OC(=O)Cc3coc4cc(OC)ccc34)ccc12
InChIInChI=1S/C22H18O6/c1-3-13-8-22(24)28-20-11-16(5-7-17(13)20)27-21(23)9-14-12-26-19-10-15(25-2)4-6-18(14)19/h4-8,10-12H,3,9H2,1-2H3
InChIKeyDCDTZYZESSOFLN-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.26
Rot. Bonds5

About (4-ethyl-2-oxochromen-7-yl) 2-(6-methoxy-1-benzofuran-3-yl)acetate

(4-ethyl-2-oxochromen-7-yl) 2-(6-methoxy-1-benzofuran-3-yl)acetate (PubChem CID 7925896) has the molecular formula C22H18O6 and a molecular weight of 378.38 g/mol. Its IUPAC name is (4-ethyl-2-oxochromen-7-yl) 2-(6-methoxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name(4-ethyl-2-oxochromen-7-yl) 2-(6-methoxy-1-benzofuran-3-yl)acetate
PubChem CID7925896
Molecular FormulaC22H18O6
Molecular Weight378.38 g/mol
Exact Mass378.11
IUPAC Name(4-ethyl-2-oxochromen-7-yl) 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCCc1cc(=O)oc2cc(OC(=O)Cc3coc4cc(OC)ccc34)ccc12
InChIInChI=1S/C22H18O6/c1-3-13-8-22(24)28-20-11-16(5-7-17(13)20)27-21(23)9-14-12-26-19-10-15(25-2)4-6-18(14)19/h4-8,10-12H,3,9H2,1-2H3
InChIKeyDCDTZYZESSOFLN-UHFFFAOYSA-N
XLogP4.26
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.26
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-propoxyphenyl) 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 55339227
(4-cyanophenyl) 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7741382
[4-(4-fluorobenzoyl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2713459
2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 55327046
(7-methoxy-2-oxochromen-4-yl)methyl 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617757
4-ethyl-7-[2-(4-methoxyphenoxy)ethoxy]chromen-2-one
CID 7699732
[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7925425
4-(iodomethyl)-7-methoxychromen-2-one
CID 129188629
4-[(tert-butylamino)methyl]-7-methoxychromen-2-one
CID 27149617
(4-ethyl-2-oxochromen-7-yl) 2-(2-chloro-6-fluorophenyl)acetate
CID 8879823
(1,3-dioxoisoindol-2-yl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 4529583
(7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate
CID 7782409

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-oxochromen-7-yl) 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The IUPAC name of (4-ethyl-2-oxochromen-7-yl) 2-(6-methoxy-1-benzofuran-3-yl)acetate (CID 7925896) is (4-ethyl-2-oxochromen-7-yl) 2-(6-methoxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for (4-ethyl-2-oxochromen-7-yl) 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for (4-ethyl-2-oxochromen-7-yl) 2-(6-methoxy-1-benzofuran-3-yl)acetate is CCc1cc(=O)oc2cc(OC(=O)Cc3coc4cc(OC)ccc34)ccc12.
What is the InChIKey of (4-ethyl-2-oxochromen-7-yl) 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The InChIKey is DCDTZYZESSOFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O6/c1-3-13-8-22(24)28-20-11-16(5-7-17(13)20)27-21(23)9-14-12-26-19-10-15(25-2)4-6-18(14)19/h4-8,10-12H,3,9H2,1-2H3.
What are the key properties of (4-ethyl-2-oxochromen-7-yl) 2-(6-methoxy-1-benzofuran-3-yl)acetate?
(4-ethyl-2-oxochromen-7-yl) 2-(6-methoxy-1-benzofuran-3-yl)acetate has a molecular weight of 378.38 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-oxochromen-7-yl) 2-(6-methoxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 7925896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).