2-methyl-5-phenylfuran-3-carboxylic acid

C12H10O3 — CID 736516

IUPAC2-methyl-5-phenylfuran-3-carboxylic acid
SMILESCc1oc(-c2ccccc2)cc1C(=O)O
InChIInChI=1S/C12H10O3/c1-8-10(12(13)14)7-11(15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)
InChIKeyVLMNACSEESRUAK-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.95
Rot. Bonds2

About 2-methyl-5-phenylfuran-3-carboxylic acid

2-methyl-5-phenylfuran-3-carboxylic acid (PubChem CID 736516) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-methyl-5-phenylfuran-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-phenylfuran-3-carboxylic acid
PubChem CID736516
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name2-methyl-5-phenylfuran-3-carboxylic acid
SMILESCc1oc(-c2ccccc2)cc1C(=O)O
InChIInChI=1S/C12H10O3/c1-8-10(12(13)14)7-11(15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)
InChIKeyVLMNACSEESRUAK-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 2-methyl-5-phenylfuran-3-carboxylic acid?
The IUPAC name of 2-methyl-5-phenylfuran-3-carboxylic acid (CID 736516) is 2-methyl-5-phenylfuran-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-phenylfuran-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-phenylfuran-3-carboxylic acid is Cc1oc(-c2ccccc2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-phenylfuran-3-carboxylic acid?
The InChIKey is VLMNACSEESRUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-8-10(12(13)14)7-11(15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14).
What are the key properties of 2-methyl-5-phenylfuran-3-carboxylic acid?
2-methyl-5-phenylfuran-3-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 2-methyl-5-phenylfuran-3-carboxylic acid is sourced from PubChem (CID 736516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).