2-[4-(furan-3-carbonyl)naphthalen-1-yl]oxyacetic acid

C17H12O5 — CID 3052164

IUPAC2-[4-(furan-3-carbonyl)naphthalen-1-yl]oxyacetic acid
SMILESO=C(O)COc1ccc(C(=O)c2ccoc2)c2ccccc12
InChIInChI=1S/C17H12O5/c18-16(19)10-22-15-6-5-14(12-3-1-2-4-13(12)15)17(20)11-7-8-21-9-11/h1-9H,10H2,(H,18,19)
InChIKeyGTCKOFQFROVCDW-UHFFFAOYSA-N
MW296.28 g/mol
LogP3.13
Rot. Bonds5

About 2-[4-(furan-3-carbonyl)naphthalen-1-yl]oxyacetic acid

2-[4-(furan-3-carbonyl)naphthalen-1-yl]oxyacetic acid (PubChem CID 3052164) has the molecular formula C17H12O5 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-[4-(furan-3-carbonyl)naphthalen-1-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[4-(furan-3-carbonyl)naphthalen-1-yl]oxyacetic acid
PubChem CID3052164
Molecular FormulaC17H12O5
Molecular Weight296.28 g/mol
Exact Mass296.07
IUPAC Name2-[4-(furan-3-carbonyl)naphthalen-1-yl]oxyacetic acid
SMILESO=C(O)COc1ccc(C(=O)c2ccoc2)c2ccccc12
InChIInChI=1S/C17H12O5/c18-16(19)10-22-15-6-5-14(12-3-1-2-4-13(12)15)17(20)11-7-8-21-9-11/h1-9H,10H2,(H,18,19)
InChIKeyGTCKOFQFROVCDW-UHFFFAOYSA-N
XLogP3.13
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-3-carbonyl)naphthalen-1-yl]oxyacetic acid?
The IUPAC name of 2-[4-(furan-3-carbonyl)naphthalen-1-yl]oxyacetic acid (CID 3052164) is 2-[4-(furan-3-carbonyl)naphthalen-1-yl]oxyacetic acid.
What is the SMILES notation for 2-[4-(furan-3-carbonyl)naphthalen-1-yl]oxyacetic acid?
The canonical SMILES for 2-[4-(furan-3-carbonyl)naphthalen-1-yl]oxyacetic acid is O=C(O)COc1ccc(C(=O)c2ccoc2)c2ccccc12.
What is the InChIKey of 2-[4-(furan-3-carbonyl)naphthalen-1-yl]oxyacetic acid?
The InChIKey is GTCKOFQFROVCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O5/c18-16(19)10-22-15-6-5-14(12-3-1-2-4-13(12)15)17(20)11-7-8-21-9-11/h1-9H,10H2,(H,18,19).
What are the key properties of 2-[4-(furan-3-carbonyl)naphthalen-1-yl]oxyacetic acid?
2-[4-(furan-3-carbonyl)naphthalen-1-yl]oxyacetic acid has a molecular weight of 296.28 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-3-carbonyl)naphthalen-1-yl]oxyacetic acid is sourced from PubChem (CID 3052164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).