5-(3-methylphenyl)furan-2-carboxylic acid

C12H10O3 — CID 960142

IUPAC5-(3-methylphenyl)furan-2-carboxylic acid
SMILESCc1cccc(-c2ccc(C(=O)O)o2)c1
InChIInChI=1S/C12H10O3/c1-8-3-2-4-9(7-8)10-5-6-11(15-10)12(13)14/h2-7H,1H3,(H,13,14)
InChIKeyNQJYIMVBENPXIB-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.95
Rot. Bonds2

About 5-(3-methylphenyl)furan-2-carboxylic acid

5-(3-methylphenyl)furan-2-carboxylic acid (PubChem CID 960142) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 5-(3-methylphenyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-methylphenyl)furan-2-carboxylic acid
PubChem CID960142
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name5-(3-methylphenyl)furan-2-carboxylic acid
SMILESCc1cccc(-c2ccc(C(=O)O)o2)c1
InChIInChI=1S/C12H10O3/c1-8-3-2-4-9(7-8)10-5-6-11(15-10)12(13)14/h2-7H,1H3,(H,13,14)
InChIKeyNQJYIMVBENPXIB-UHFFFAOYSA-N
XLogP2.95
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)furan-2-carboxylic acid?
The IUPAC name of 5-(3-methylphenyl)furan-2-carboxylic acid (CID 960142) is 5-(3-methylphenyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(3-methylphenyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(3-methylphenyl)furan-2-carboxylic acid is Cc1cccc(-c2ccc(C(=O)O)o2)c1.
What is the InChIKey of 5-(3-methylphenyl)furan-2-carboxylic acid?
The InChIKey is NQJYIMVBENPXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-8-3-2-4-9(7-8)10-5-6-11(15-10)12(13)14/h2-7H,1H3,(H,13,14).
What are the key properties of 5-(3-methylphenyl)furan-2-carboxylic acid?
5-(3-methylphenyl)furan-2-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)furan-2-carboxylic acid is sourced from PubChem (CID 960142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).