4-phenylfuran-2-carboxylate

C11H7O3- — CID 86317318

IUPAC4-phenylfuran-2-carboxylate
SMILESO=C([O-])c1cc(-c2ccccc2)co1
InChIInChI=1S/C11H8O3/c12-11(13)10-6-9(7-14-10)8-4-2-1-3-5-8/h1-7H,(H,12,13)/p-1
InChIKeyKBGLLDCBYBKUIO-UHFFFAOYSA-M
MW187.17 g/mol
LogP1.31
Rot. Bonds2

About 4-phenylfuran-2-carboxylate

4-phenylfuran-2-carboxylate (PubChem CID 86317318) has the molecular formula C11H7O3- and a molecular weight of 187.17 g/mol. Its IUPAC name is 4-phenylfuran-2-carboxylate.

Molecular Properties

Compound Name4-phenylfuran-2-carboxylate
PubChem CID86317318
Molecular FormulaC11H7O3-
Molecular Weight187.17 g/mol
Exact Mass187.04
IUPAC Name4-phenylfuran-2-carboxylate
SMILESO=C([O-])c1cc(-c2ccccc2)co1
InChIInChI=1S/C11H8O3/c12-11(13)10-6-9(7-14-10)8-4-2-1-3-5-8/h1-7H,(H,12,13)/p-1
InChIKeyKBGLLDCBYBKUIO-UHFFFAOYSA-M
XLogP1.31
TPSA53.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(1,1'-biphenyl);carbonate
CID 23514328
4-(4-aminophenyl)furan-2-carboxylic acid
CID 117223140
(3Z)-4-methyl-3-[methylamino-(4-phenylfuran-2-yl)methylidene]pentan-2-one
CID 144700356
4-(2-hydroxyphenyl)furan-2-carboxylic acid
CID 117222402
3-[5-(2,2,2-trifluoroacetyl)furan-3-yl]benzoic acid
CID 67323660
1,1'-biphenyl;palladium(2+);diacetate
CID 173036521
disodium;4-phenylphthalate
CID 134868344
4-(2-phenylmethoxyphenyl)furan-2-carboxylic acid
CID 23062503
platinum(4+) tetrabenzoate
CID 173022810
disodium;4,5-diphenylphthalate
CID 134868371
4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 4319506
5-[(4-phenylphenyl)methoxy]furan-3-carboxylic acid
CID 155391808

Frequently Asked Questions

What is the IUPAC name of 4-phenylfuran-2-carboxylate?
The IUPAC name of 4-phenylfuran-2-carboxylate (CID 86317318) is 4-phenylfuran-2-carboxylate.
What is the SMILES notation for 4-phenylfuran-2-carboxylate?
The canonical SMILES for 4-phenylfuran-2-carboxylate is O=C([O-])c1cc(-c2ccccc2)co1.
What is the InChIKey of 4-phenylfuran-2-carboxylate?
The InChIKey is KBGLLDCBYBKUIO-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H8O3/c12-11(13)10-6-9(7-14-10)8-4-2-1-3-5-8/h1-7H,(H,12,13)/p-1.
What are the key properties of 4-phenylfuran-2-carboxylate?
4-phenylfuran-2-carboxylate has a molecular weight of 187.17 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylfuran-2-carboxylate is sourced from PubChem (CID 86317318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).