6,7-dimethoxy-2-[(4-phenylphenyl)methyl]-1-benzofuran-4-carboxylic acid

C24H20O5 — CID 22180800

IUPAC6,7-dimethoxy-2-[(4-phenylphenyl)methyl]-1-benzofuran-4-carboxylic acid
SMILESCOc1cc(C(=O)O)c2cc(Cc3ccc(-c4ccccc4)cc3)oc2c1OC
InChIInChI=1S/C24H20O5/c1-27-21-14-20(24(25)26)19-13-18(29-22(19)23(21)28-2)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3,(H,25,26)
InChIKeyYBUMEJJMETXXCG-UHFFFAOYSA-N
MW388.42 g/mol
LogP5.41
Rot. Bonds6

About 6,7-dimethoxy-2-[(4-phenylphenyl)methyl]-1-benzofuran-4-carboxylic acid

6,7-dimethoxy-2-[(4-phenylphenyl)methyl]-1-benzofuran-4-carboxylic acid (PubChem CID 22180800) has the molecular formula C24H20O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is 6,7-dimethoxy-2-[(4-phenylphenyl)methyl]-1-benzofuran-4-carboxylic acid.

Molecular Properties

Compound Name6,7-dimethoxy-2-[(4-phenylphenyl)methyl]-1-benzofuran-4-carboxylic acid
PubChem CID22180800
Molecular FormulaC24H20O5
Molecular Weight388.42 g/mol
Exact Mass388.13
IUPAC Name6,7-dimethoxy-2-[(4-phenylphenyl)methyl]-1-benzofuran-4-carboxylic acid
SMILESCOc1cc(C(=O)O)c2cc(Cc3ccc(-c4ccccc4)cc3)oc2c1OC
InChIInChI=1S/C24H20O5/c1-27-21-14-20(24(25)26)19-13-18(29-22(19)23(21)28-2)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3,(H,25,26)
InChIKeyYBUMEJJMETXXCG-UHFFFAOYSA-N
XLogP5.41
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.42
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(hydroxymethyl)-6,7-dimethoxy-1-benzofuran-4-carboxylic acid
CID 22180864
2-benzyl-6,7-dimethoxy-1-benzofuran-4-carbaldehyde
CID 22180849
2-methoxy-5-phenylbenzene-1,3-dicarboxylic acid
CID 117100492
4-methoxy-1-phenylnaphthalene-2-carboxylic acid
CID 12870686
(4-methylphenyl)-(3,4,5-trimethoxy-2-phenylphenyl)methanone
CID 71574701
2-benzyl-5-bromo-7-methoxy-1-benzofuran
CID 132548395
3-bromo-2-methoxy-5-phenylbenzoic acid
CID 50882923
5,7,8-trimethoxy-3-phenylchromen-2-one
CID 134912099
(4-phenylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 7926501
3,4-dimethoxy-2-[(4-methoxyphenyl)methyl]benzoic acid
CID 11289635
3-amino-2,4,5-trimethoxybenzoic acid
CID 63023847
1-methoxy-2-[(4-phenylphenyl)methyl]benzene
CID 174370208

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-[(4-phenylphenyl)methyl]-1-benzofuran-4-carboxylic acid?
The IUPAC name of 6,7-dimethoxy-2-[(4-phenylphenyl)methyl]-1-benzofuran-4-carboxylic acid (CID 22180800) is 6,7-dimethoxy-2-[(4-phenylphenyl)methyl]-1-benzofuran-4-carboxylic acid.
What is the SMILES notation for 6,7-dimethoxy-2-[(4-phenylphenyl)methyl]-1-benzofuran-4-carboxylic acid?
The canonical SMILES for 6,7-dimethoxy-2-[(4-phenylphenyl)methyl]-1-benzofuran-4-carboxylic acid is COc1cc(C(=O)O)c2cc(Cc3ccc(-c4ccccc4)cc3)oc2c1OC.
What is the InChIKey of 6,7-dimethoxy-2-[(4-phenylphenyl)methyl]-1-benzofuran-4-carboxylic acid?
The InChIKey is YBUMEJJMETXXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O5/c1-27-21-14-20(24(25)26)19-13-18(29-22(19)23(21)28-2)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3,(H,25,26).
What are the key properties of 6,7-dimethoxy-2-[(4-phenylphenyl)methyl]-1-benzofuran-4-carboxylic acid?
6,7-dimethoxy-2-[(4-phenylphenyl)methyl]-1-benzofuran-4-carboxylic acid has a molecular weight of 388.42 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-[(4-phenylphenyl)methyl]-1-benzofuran-4-carboxylic acid is sourced from PubChem (CID 22180800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).