7-methoxy-4-[(E)-(6-methyl-3-oxo-1-benzofuran-2-ylidene)methyl]chromen-2-one

C20H14O5 — CID 177413343

IUPAC7-methoxy-4-[(E)-(6-methyl-3-oxo-1-benzofuran-2-ylidene)methyl]chromen-2-one
SMILESCOc1ccc2c(/C=C3/Oc4cc(C)ccc4C3=O)cc(=O)oc2c1
InChIInChI=1S/C20H14O5/c1-11-3-5-15-16(7-11)24-18(20(15)22)8-12-9-19(21)25-17-10-13(23-2)4-6-14(12)17/h3-10H,1-2H3/b18-8+
InChIKeyHUWKKNIUQMSTQT-QGMBQPNBSA-N
MW334.33 g/mol
LogP3.73
Rot. Bonds2

About 7-methoxy-4-[(E)-(6-methyl-3-oxo-1-benzofuran-2-ylidene)methyl]chromen-2-one

7-methoxy-4-[(E)-(6-methyl-3-oxo-1-benzofuran-2-ylidene)methyl]chromen-2-one (PubChem CID 177413343) has the molecular formula C20H14O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is 7-methoxy-4-[(E)-(6-methyl-3-oxo-1-benzofuran-2-ylidene)methyl]chromen-2-one.

Molecular Properties

Compound Name7-methoxy-4-[(E)-(6-methyl-3-oxo-1-benzofuran-2-ylidene)methyl]chromen-2-one
PubChem CID177413343
Molecular FormulaC20H14O5
Molecular Weight334.33 g/mol
Exact Mass334.08
IUPAC Name7-methoxy-4-[(E)-(6-methyl-3-oxo-1-benzofuran-2-ylidene)methyl]chromen-2-one
SMILESCOc1ccc2c(/C=C3/Oc4cc(C)ccc4C3=O)cc(=O)oc2c1
InChIInChI=1S/C20H14O5/c1-11-3-5-15-16(7-11)24-18(20(15)22)8-12-9-19(21)25-17-10-13(23-2)4-6-14(12)17/h3-10H,1-2H3/b18-8+
InChIKeyHUWKKNIUQMSTQT-QGMBQPNBSA-N
XLogP3.73
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-6-methoxy-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one
CID 5378595
4-[(E)-2-(4-methoxyphenyl)ethenyl]-7-methylchromen-2-one
CID 15092135
4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methoxychromen-2-one
CID 46845156
(2E)-2-[(2-aminophenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 177440525
2-[(3,5-dimethoxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 85064486
6-methoxy-2-[(5-methoxy-1H-indol-3-yl)methylidene]-1-benzofuran-3-one
CID 69003793
2-[(2,4-dimethoxyphenyl)methylidene]-6-[(2,5-dimethylphenyl)methoxy]-1-benzofuran-3-one
CID 3701326
(2Z)-2-benzylidene-6-methoxy-1-benzofuran-3-one
CID 642380
7-methoxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]chromen-2-one
CID 46887465
(2Z)-2-[(1-ethylindol-3-yl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 35494213
2-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 578349
7-methyl-2,4-bis[(2,3,4-trimethoxyphenyl)methylidene]-1,5-benzodioxepin-3-one
CID 123907746

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[(E)-(6-methyl-3-oxo-1-benzofuran-2-ylidene)methyl]chromen-2-one?
The IUPAC name of 7-methoxy-4-[(E)-(6-methyl-3-oxo-1-benzofuran-2-ylidene)methyl]chromen-2-one (CID 177413343) is 7-methoxy-4-[(E)-(6-methyl-3-oxo-1-benzofuran-2-ylidene)methyl]chromen-2-one.
What is the SMILES notation for 7-methoxy-4-[(E)-(6-methyl-3-oxo-1-benzofuran-2-ylidene)methyl]chromen-2-one?
The canonical SMILES for 7-methoxy-4-[(E)-(6-methyl-3-oxo-1-benzofuran-2-ylidene)methyl]chromen-2-one is COc1ccc2c(/C=C3/Oc4cc(C)ccc4C3=O)cc(=O)oc2c1.
What is the InChIKey of 7-methoxy-4-[(E)-(6-methyl-3-oxo-1-benzofuran-2-ylidene)methyl]chromen-2-one?
The InChIKey is HUWKKNIUQMSTQT-QGMBQPNBSA-N. The full InChI is InChI=1S/C20H14O5/c1-11-3-5-15-16(7-11)24-18(20(15)22)8-12-9-19(21)25-17-10-13(23-2)4-6-14(12)17/h3-10H,1-2H3/b18-8+.
What are the key properties of 7-methoxy-4-[(E)-(6-methyl-3-oxo-1-benzofuran-2-ylidene)methyl]chromen-2-one?
7-methoxy-4-[(E)-(6-methyl-3-oxo-1-benzofuran-2-ylidene)methyl]chromen-2-one has a molecular weight of 334.33 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[(E)-(6-methyl-3-oxo-1-benzofuran-2-ylidene)methyl]chromen-2-one is sourced from PubChem (CID 177413343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).