(7-methyl-2-oxochromen-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate

C21H16O6 — CID 7414844

IUPAC(7-methyl-2-oxochromen-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
SMILESCc1ccc2c(COC(=O)Cc3coc4cc(O)ccc34)cc(=O)oc2c1
InChIInChI=1S/C21H16O6/c1-12-2-4-17-14(8-21(24)27-19(17)6-12)11-26-20(23)7-13-10-25-18-9-15(22)3-5-16(13)18/h2-6,8-10,22H,7,11H2,1H3
InChIKeyZZPRCMCAZREQQH-UHFFFAOYSA-N
MW364.35 g/mol
LogP3.84
Rot. Bonds4

About (7-methyl-2-oxochromen-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate

(7-methyl-2-oxochromen-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate (PubChem CID 7414844) has the molecular formula C21H16O6 and a molecular weight of 364.35 g/mol. Its IUPAC name is (7-methyl-2-oxochromen-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name(7-methyl-2-oxochromen-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
PubChem CID7414844
Molecular FormulaC21H16O6
Molecular Weight364.35 g/mol
Exact Mass364.09
IUPAC Name(7-methyl-2-oxochromen-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
SMILESCc1ccc2c(COC(=O)Cc3coc4cc(O)ccc34)cc(=O)oc2c1
InChIInChI=1S/C21H16O6/c1-12-2-4-17-14(8-21(24)27-19(17)6-12)11-26-20(23)7-13-10-25-18-9-15(22)3-5-16(13)18/h2-6,8-10,22H,7,11H2,1H3
InChIKeyZZPRCMCAZREQQH-UHFFFAOYSA-N
XLogP3.84
TPSA89.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (7-methyl-2-oxochromen-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 7872158
(7-hydroxy-2-oxochromen-4-yl)methyl 2-(4-methylphenyl)sulfanylacetate
CID 7675933
(7-methyl-2-oxochromen-4-yl)methyl 2-(2-nitrophenyl)acetate
CID 3310308
(7-hydroxy-2-oxochromen-4-yl)methyl 2-(2,4-dichlorophenyl)acetate
CID 7951138
(7-methyl-2-oxochromen-4-yl)methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235435
methyl 2-(7-hydroxy-2-oxochromen-4-yl)acetate
CID 5395514
(7-methyl-2-oxochromen-4-yl)methyl 2,5-dimethylbenzoate
CID 2629840
(7-methoxy-2-oxochromen-4-yl)methyl 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617757
(6-bromo-1,3-benzodioxol-5-yl)methyl 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 7480699
(7-hydroxy-2-oxochromen-4-yl)methyl 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 8631396
(7-methyl-2-oxochromen-4-yl)methyl 2-[(2-phenylacetyl)amino]acetate
CID 30112317
(7-methyl-2-oxochromen-4-yl)methyl 4-iodobenzoate
CID 2628144

Frequently Asked Questions

What is the IUPAC name of (7-methyl-2-oxochromen-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The IUPAC name of (7-methyl-2-oxochromen-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate (CID 7414844) is (7-methyl-2-oxochromen-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for (7-methyl-2-oxochromen-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for (7-methyl-2-oxochromen-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate is Cc1ccc2c(COC(=O)Cc3coc4cc(O)ccc34)cc(=O)oc2c1.
What is the InChIKey of (7-methyl-2-oxochromen-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The InChIKey is ZZPRCMCAZREQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O6/c1-12-2-4-17-14(8-21(24)27-19(17)6-12)11-26-20(23)7-13-10-25-18-9-15(22)3-5-16(13)18/h2-6,8-10,22H,7,11H2,1H3.
What are the key properties of (7-methyl-2-oxochromen-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
(7-methyl-2-oxochromen-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate has a molecular weight of 364.35 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-2-oxochromen-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 7414844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).