5-(2-methoxy-3,4-dimethylphenyl)furan-2-carboxylic acid

C14H14O4 — CID 103434041

IUPAC5-(2-methoxy-3,4-dimethylphenyl)furan-2-carboxylic acid
SMILESCOc1c(-c2ccc(C(=O)O)o2)ccc(C)c1C
InChIInChI=1S/C14H14O4/c1-8-4-5-10(13(17-3)9(8)2)11-6-7-12(18-11)14(15)16/h4-7H,1-3H3,(H,15,16)
InChIKeyFAUFHIITTVXJEF-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.27
Rot. Bonds3

About 5-(2-methoxy-3,4-dimethylphenyl)furan-2-carboxylic acid

5-(2-methoxy-3,4-dimethylphenyl)furan-2-carboxylic acid (PubChem CID 103434041) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 5-(2-methoxy-3,4-dimethylphenyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxy-3,4-dimethylphenyl)furan-2-carboxylic acid
PubChem CID103434041
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name5-(2-methoxy-3,4-dimethylphenyl)furan-2-carboxylic acid
SMILESCOc1c(-c2ccc(C(=O)O)o2)ccc(C)c1C
InChIInChI=1S/C14H14O4/c1-8-4-5-10(13(17-3)9(8)2)11-6-7-12(18-11)14(15)16/h4-7H,1-3H3,(H,15,16)
InChIKeyFAUFHIITTVXJEF-UHFFFAOYSA-N
XLogP3.27
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methoxy-2-methylphenyl)furan-2-carboxylic acid
CID 62502482
5-(2,3,4,5,6-pentamethylphenyl)furan-2-carboxylic acid
CID 63424237
3-(2-methoxy-3,4-dimethylphenyl)pyridine-2-carboxylic acid
CID 107525186
5-(8-methoxyquinolin-5-yl)furan-2-carboxylic acid
CID 56716559
1-(5-methylcyclopenta[b]pyran-2-yl)ethanone
CID 151002996
5-(3-bromo-2-methylphenyl)furan-2-carboxylic acid
CID 107626669
5-naphthalen-1-ylfuran-2-carboxylic acid
CID 43332928
5-(2,6-difluoro-3-methylphenyl)furan-2-carboxylic acid
CID 82820130
4-fluoro-2-(2-methoxy-3,4-dimethylphenyl)benzoic acid
CID 103434038
5-(3-chloro-4-methylphenyl)furan-2-carboxylic acid
CID 921170
5-(2-methoxy-4-nitrophenyl)furan-2-carboxylic acid
CID 960532
5-(6-amino-4-methyl-3-pyridinyl)furan-2-carboxylic acid
CID 18801340

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-3,4-dimethylphenyl)furan-2-carboxylic acid?
The IUPAC name of 5-(2-methoxy-3,4-dimethylphenyl)furan-2-carboxylic acid (CID 103434041) is 5-(2-methoxy-3,4-dimethylphenyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2-methoxy-3,4-dimethylphenyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(2-methoxy-3,4-dimethylphenyl)furan-2-carboxylic acid is COc1c(-c2ccc(C(=O)O)o2)ccc(C)c1C.
What is the InChIKey of 5-(2-methoxy-3,4-dimethylphenyl)furan-2-carboxylic acid?
The InChIKey is FAUFHIITTVXJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-8-4-5-10(13(17-3)9(8)2)11-6-7-12(18-11)14(15)16/h4-7H,1-3H3,(H,15,16).
What are the key properties of 5-(2-methoxy-3,4-dimethylphenyl)furan-2-carboxylic acid?
5-(2-methoxy-3,4-dimethylphenyl)furan-2-carboxylic acid has a molecular weight of 246.26 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-3,4-dimethylphenyl)furan-2-carboxylic acid is sourced from PubChem (CID 103434041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).