methyl 4-(3,4-dimethoxybenzoyl)-5-phenylfuran-3-carboxylate

C21H18O6 — CID 56955599

IUPACmethyl 4-(3,4-dimethoxybenzoyl)-5-phenylfuran-3-carboxylate
SMILESCOC(=O)c1coc(-c2ccccc2)c1C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H18O6/c1-24-16-10-9-14(11-17(16)25-2)19(22)18-15(21(23)26-3)12-27-20(18)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyRCEPCGWADCZAHN-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.98
Rot. Bonds6

About methyl 4-(3,4-dimethoxybenzoyl)-5-phenylfuran-3-carboxylate

methyl 4-(3,4-dimethoxybenzoyl)-5-phenylfuran-3-carboxylate (PubChem CID 56955599) has the molecular formula C21H18O6 and a molecular weight of 366.37 g/mol. Its IUPAC name is methyl 4-(3,4-dimethoxybenzoyl)-5-phenylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3,4-dimethoxybenzoyl)-5-phenylfuran-3-carboxylate
PubChem CID56955599
Molecular FormulaC21H18O6
Molecular Weight366.37 g/mol
Exact Mass366.11
IUPAC Namemethyl 4-(3,4-dimethoxybenzoyl)-5-phenylfuran-3-carboxylate
SMILESCOC(=O)c1coc(-c2ccccc2)c1C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H18O6/c1-24-16-10-9-14(11-17(16)25-2)19(22)18-15(21(23)26-3)12-27-20(18)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyRCEPCGWADCZAHN-UHFFFAOYSA-N
XLogP3.98
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-phenyl-4-(2,3,4-trimethoxybenzoyl)furan-3-carboxylate
CID 56955596
methyl 4-(4-methylbenzoyl)-2-phenylfuran-3-carboxylate
CID 101099936
dimethyl 2-(3-methylphenyl)furan-3,4-dicarboxylate
CID 141186946
methyl 4-methoxy-3-phenylbenzoate
CID 11010121
1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone
CID 102341182
dimethyl 2-(2-methoxycarbonylphenyl)furan-3,4-dicarboxylate
CID 14902064
[amino-(3,4-dimethoxyphenyl)methylidene]-benzoyloxyazanium
CID 4086386
methyl 2,6-dimethoxy-3-phenylbenzoate
CID 142664398
(4,5-dihydroxy-6,7-dimethylidene-1-benzofuran-3-yl)-(3,4-dimethoxyphenyl)methanone
CID 91186499
methyl 3-methoxy-4-(2-phenylphenyl)sulfonyloxybenzoate
CID 39977799
N'-(3,4-dimethoxybenzoyl)-3-phenylfuran-2-carbohydrazide
CID 34977030
methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate
CID 14750800

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3,4-dimethoxybenzoyl)-5-phenylfuran-3-carboxylate?
The IUPAC name of methyl 4-(3,4-dimethoxybenzoyl)-5-phenylfuran-3-carboxylate (CID 56955599) is methyl 4-(3,4-dimethoxybenzoyl)-5-phenylfuran-3-carboxylate.
What is the SMILES notation for methyl 4-(3,4-dimethoxybenzoyl)-5-phenylfuran-3-carboxylate?
The canonical SMILES for methyl 4-(3,4-dimethoxybenzoyl)-5-phenylfuran-3-carboxylate is COC(=O)c1coc(-c2ccccc2)c1C(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of methyl 4-(3,4-dimethoxybenzoyl)-5-phenylfuran-3-carboxylate?
The InChIKey is RCEPCGWADCZAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O6/c1-24-16-10-9-14(11-17(16)25-2)19(22)18-15(21(23)26-3)12-27-20(18)13-7-5-4-6-8-13/h4-12H,1-3H3.
What are the key properties of methyl 4-(3,4-dimethoxybenzoyl)-5-phenylfuran-3-carboxylate?
methyl 4-(3,4-dimethoxybenzoyl)-5-phenylfuran-3-carboxylate has a molecular weight of 366.37 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3,4-dimethoxybenzoyl)-5-phenylfuran-3-carboxylate is sourced from PubChem (CID 56955599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).