5-(naphthalen-1-yloxymethyl)furan-2-carboxylic acid

C16H12O4 — CID 580602

IUPAC5-(naphthalen-1-yloxymethyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(COc2cccc3ccccc23)o1
InChIInChI=1S/C16H12O4/c17-16(18)15-9-8-12(20-15)10-19-14-7-3-5-11-4-1-2-6-13(11)14/h1-9H,10H2,(H,17,18)
InChIKeyDVUUCZPXJSZJNK-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.71
Rot. Bonds4

About 5-(naphthalen-1-yloxymethyl)furan-2-carboxylic acid

5-(naphthalen-1-yloxymethyl)furan-2-carboxylic acid (PubChem CID 580602) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-(naphthalen-1-yloxymethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(naphthalen-1-yloxymethyl)furan-2-carboxylic acid
PubChem CID580602
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name5-(naphthalen-1-yloxymethyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(COc2cccc3ccccc23)o1
InChIInChI=1S/C16H12O4/c17-16(18)15-9-8-12(20-15)10-19-14-7-3-5-11-4-1-2-6-13(11)14/h1-9H,10H2,(H,17,18)
InChIKeyDVUUCZPXJSZJNK-UHFFFAOYSA-N
XLogP3.71
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-1-yloxymethyl)furan-2-carboxylic acid?
The IUPAC name of 5-(naphthalen-1-yloxymethyl)furan-2-carboxylic acid (CID 580602) is 5-(naphthalen-1-yloxymethyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(naphthalen-1-yloxymethyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(naphthalen-1-yloxymethyl)furan-2-carboxylic acid is O=C(O)c1ccc(COc2cccc3ccccc23)o1.
What is the InChIKey of 5-(naphthalen-1-yloxymethyl)furan-2-carboxylic acid?
The InChIKey is DVUUCZPXJSZJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c17-16(18)15-9-8-12(20-15)10-19-14-7-3-5-11-4-1-2-6-13(11)14/h1-9H,10H2,(H,17,18).
What are the key properties of 5-(naphthalen-1-yloxymethyl)furan-2-carboxylic acid?
5-(naphthalen-1-yloxymethyl)furan-2-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-1-yloxymethyl)furan-2-carboxylic acid is sourced from PubChem (CID 580602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).