5-naphthalen-1-ylfuran-2-carboxylic acid

C15H10O3 — CID 43332928

IUPAC5-naphthalen-1-ylfuran-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc3ccccc23)o1
InChIInChI=1S/C15H10O3/c16-15(17)14-9-8-13(18-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,16,17)
InChIKeyOXUIISRQQRIEKA-UHFFFAOYSA-N
MW238.24 g/mol
LogP3.80
Rot. Bonds2

About 5-naphthalen-1-ylfuran-2-carboxylic acid

5-naphthalen-1-ylfuran-2-carboxylic acid (PubChem CID 43332928) has the molecular formula C15H10O3 and a molecular weight of 238.24 g/mol. Its IUPAC name is 5-naphthalen-1-ylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-naphthalen-1-ylfuran-2-carboxylic acid
PubChem CID43332928
Molecular FormulaC15H10O3
Molecular Weight238.24 g/mol
Exact Mass238.06
IUPAC Name5-naphthalen-1-ylfuran-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc3ccccc23)o1
InChIInChI=1S/C15H10O3/c16-15(17)14-9-8-13(18-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,16,17)
InChIKeyOXUIISRQQRIEKA-UHFFFAOYSA-N
XLogP3.80
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-chlorophenyl)furan-2-carboxylic acid
CID 784625
5-(1,2-dihydroacenaphthylen-5-yl)furan-2-carboxylic acid
CID 114939422
5-(1-benzothiophen-3-yl)furan-2-carboxylic acid
CID 4189591
(5-naphthalen-1-ylfuran-2-yl)methanol
CID 60894914
5-(2-acetamidophenyl)furan-2-carboxylic acid
CID 91687919
5-(naphthalen-1-ylmethylamino)furan-2-carboxylic acid
CID 62369627
methyl 3-(5-naphthalen-1-ylfuran-2-yl)prop-2-enoate
CID 71445900
5-[2-(propanoylamino)phenyl]furan-2-carboxylic acid
CID 91687940
5-[hydroxy(naphthalen-1-yl)methyl]furan-2-carboxylic acid
CID 91995996
(2E,4E)-3-methyl-5-(5-naphthalen-1-ylfuran-2-yl)penta-2,4-dienoic acid
CID 135232225
5-[3-(butanoylamino)-2-methylphenyl]furan-2-carboxylic acid
CID 91687975
[(Z)-(5-naphthalen-1-ylfuran-2-yl)methylideneamino]urea
CID 30105868

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-ylfuran-2-carboxylic acid?
The IUPAC name of 5-naphthalen-1-ylfuran-2-carboxylic acid (CID 43332928) is 5-naphthalen-1-ylfuran-2-carboxylic acid.
What is the SMILES notation for 5-naphthalen-1-ylfuran-2-carboxylic acid?
The canonical SMILES for 5-naphthalen-1-ylfuran-2-carboxylic acid is O=C(O)c1ccc(-c2cccc3ccccc23)o1.
What is the InChIKey of 5-naphthalen-1-ylfuran-2-carboxylic acid?
The InChIKey is OXUIISRQQRIEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O3/c16-15(17)14-9-8-13(18-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,16,17).
What are the key properties of 5-naphthalen-1-ylfuran-2-carboxylic acid?
5-naphthalen-1-ylfuran-2-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-ylfuran-2-carboxylic acid is sourced from PubChem (CID 43332928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).