2-phenyl-3H-furan-2-carboxylic acid

C11H10O3 — CID 151281654

IUPAC2-phenyl-3H-furan-2-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CC=CO1
InChIInChI=1S/C11H10O3/c12-10(13)11(7-4-8-14-11)9-5-2-1-3-6-9/h1-6,8H,7H2,(H,12,13)
InChIKeyNYNCPAIGUDVLQW-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.90
Rot. Bonds2

About 2-phenyl-3H-furan-2-carboxylic acid

2-phenyl-3H-furan-2-carboxylic acid (PubChem CID 151281654) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-phenyl-3H-furan-2-carboxylic acid.

Molecular Properties

Compound Name2-phenyl-3H-furan-2-carboxylic acid
PubChem CID151281654
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name2-phenyl-3H-furan-2-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CC=CO1
InChIInChI=1S/C11H10O3/c12-10(13)11(7-4-8-14-11)9-5-2-1-3-6-9/h1-6,8H,7H2,(H,12,13)
InChIKeyNYNCPAIGUDVLQW-UHFFFAOYSA-N
XLogP1.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3H-furan-2-carboxylic acid?
The IUPAC name of 2-phenyl-3H-furan-2-carboxylic acid (CID 151281654) is 2-phenyl-3H-furan-2-carboxylic acid.
What is the SMILES notation for 2-phenyl-3H-furan-2-carboxylic acid?
The canonical SMILES for 2-phenyl-3H-furan-2-carboxylic acid is O=C(O)C1(c2ccccc2)CC=CO1.
What is the InChIKey of 2-phenyl-3H-furan-2-carboxylic acid?
The InChIKey is NYNCPAIGUDVLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c12-10(13)11(7-4-8-14-11)9-5-2-1-3-6-9/h1-6,8H,7H2,(H,12,13).
What are the key properties of 2-phenyl-3H-furan-2-carboxylic acid?
2-phenyl-3H-furan-2-carboxylic acid has a molecular weight of 190.20 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3H-furan-2-carboxylic acid is sourced from PubChem (CID 151281654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).