7-[(7-methoxy-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-one

C20H16O5 — CID 59603185

IUPAC7-[(7-methoxy-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-one
SMILESCOc1cccc2cc(COc3ccc4c(C)cc(=O)oc4c3)oc12
InChIInChI=1S/C20H16O5/c1-12-8-19(21)25-18-10-14(6-7-16(12)18)23-11-15-9-13-4-3-5-17(22-2)20(13)24-15/h3-10H,11H2,1-2H3
InChIKeyGLHZARDDJFBGHB-UHFFFAOYSA-N
MW336.34 g/mol
LogP4.44
Rot. Bonds4

About 7-[(7-methoxy-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-one

7-[(7-methoxy-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-one (PubChem CID 59603185) has the molecular formula C20H16O5 and a molecular weight of 336.34 g/mol. Its IUPAC name is 7-[(7-methoxy-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[(7-methoxy-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-one
PubChem CID59603185
Molecular FormulaC20H16O5
Molecular Weight336.34 g/mol
Exact Mass336.10
IUPAC Name7-[(7-methoxy-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-one
SMILESCOc1cccc2cc(COc3ccc4c(C)cc(=O)oc4c3)oc12
InChIInChI=1S/C20H16O5/c1-12-8-19(21)25-18-10-14(6-7-16(12)18)23-11-15-9-13-4-3-5-17(22-2)20(13)24-15/h3-10H,11H2,1-2H3
InChIKeyGLHZARDDJFBGHB-UHFFFAOYSA-N
XLogP4.44
TPSA61.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 4114
Imperatorin
CID 10212
Isopimpinellin
CID 68079
Khellin
CID 3828
Sphondin
CID 108104
Pimpinellin
CID 4825
Phellopterin
CID 98608
Xanthotoxol
CID 65090
Bergamottin
CID 5471349
Efloxate
CID 8395
Pentamethylquercetin
CID 97332
8-Geranyloxypsoralen
CID 5317564

Frequently Asked Questions

What is the IUPAC name of 7-[(7-methoxy-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-one?
The IUPAC name of 7-[(7-methoxy-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-one (CID 59603185) is 7-[(7-methoxy-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-one.
What is the SMILES notation for 7-[(7-methoxy-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-one?
The canonical SMILES for 7-[(7-methoxy-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-one is COc1cccc2cc(COc3ccc4c(C)cc(=O)oc4c3)oc12.
What is the InChIKey of 7-[(7-methoxy-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-one?
The InChIKey is GLHZARDDJFBGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O5/c1-12-8-19(21)25-18-10-14(6-7-16(12)18)23-11-15-9-13-4-3-5-17(22-2)20(13)24-15/h3-10H,11H2,1-2H3.
What are the key properties of 7-[(7-methoxy-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-one?
7-[(7-methoxy-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-one has a molecular weight of 336.34 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(7-methoxy-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-one is sourced from PubChem (CID 59603185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).