2-[1-(2-carboxyethenyl)naphthalen-2-yl]oxypropanoic acid

C16H14O5 — CID 76914309

IUPAC2-[1-(2-carboxyethenyl)naphthalen-2-yl]oxypropanoic acid
SMILESCC(Oc1ccc2ccccc2c1C=CC(=O)O)C(=O)O
InChIInChI=1S/C16H14O5/c1-10(16(19)20)21-14-8-6-11-4-2-3-5-12(11)13(14)7-9-15(17)18/h2-10H,1H3,(H,17,18)(H,19,20)
InChIKeyFOYDPAMRGKOBIR-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.79
Rot. Bonds5

About 2-[1-(2-carboxyethenyl)naphthalen-2-yl]oxypropanoic acid

2-[1-(2-carboxyethenyl)naphthalen-2-yl]oxypropanoic acid (PubChem CID 76914309) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-[1-(2-carboxyethenyl)naphthalen-2-yl]oxypropanoic acid.

Molecular Properties

Compound Name2-[1-(2-carboxyethenyl)naphthalen-2-yl]oxypropanoic acid
PubChem CID76914309
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name2-[1-(2-carboxyethenyl)naphthalen-2-yl]oxypropanoic acid
SMILESCC(Oc1ccc2ccccc2c1C=CC(=O)O)C(=O)O
InChIInChI=1S/C16H14O5/c1-10(16(19)20)21-14-8-6-11-4-2-3-5-12(11)13(14)7-9-15(17)18/h2-10H,1H3,(H,17,18)(H,19,20)
InChIKeyFOYDPAMRGKOBIR-UHFFFAOYSA-N
XLogP2.79
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-pentan-2-yloxynaphthalen-1-yl)prop-2-enoic acid
CID 107890419
methyl (E)-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enoate
CID 10635746
(2R)-2-(1-iodonaphthalen-2-yl)oxypropanoic acid
CID 25272767
3-[2-(2-naphthalen-2-yloxyethoxy)naphthalen-1-yl]prop-2-enoic acid
CID 20993650
(E)-3-[1-[(E)-2-carboxyethenyl]naphthalen-2-yl]prop-2-enoic acid
CID 67681158
3-[2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]naphthalen-1-yl]prop-2-enoic acid
CID 20990772
(E)-4-(2-methoxynaphthalen-1-yl)-2-oxobut-3-enoic acid
CID 82161137
(E)-3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one
CID 5351689
2-(2-hydroxynaphthalen-1-yl)oxypropanoic acid
CID 140626524
3-(2-methoxynaphthalen-1-yl)prop-2-enamide
CID 169482467
(E)-3-(2-prop-2-enoxynaphthalen-1-yl)prop-2-enamide
CID 170876678
(2S)-2-[1-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxypropanoic acid
CID 126408699

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-carboxyethenyl)naphthalen-2-yl]oxypropanoic acid?
The IUPAC name of 2-[1-(2-carboxyethenyl)naphthalen-2-yl]oxypropanoic acid (CID 76914309) is 2-[1-(2-carboxyethenyl)naphthalen-2-yl]oxypropanoic acid.
What is the SMILES notation for 2-[1-(2-carboxyethenyl)naphthalen-2-yl]oxypropanoic acid?
The canonical SMILES for 2-[1-(2-carboxyethenyl)naphthalen-2-yl]oxypropanoic acid is CC(Oc1ccc2ccccc2c1C=CC(=O)O)C(=O)O.
What is the InChIKey of 2-[1-(2-carboxyethenyl)naphthalen-2-yl]oxypropanoic acid?
The InChIKey is FOYDPAMRGKOBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-10(16(19)20)21-14-8-6-11-4-2-3-5-12(11)13(14)7-9-15(17)18/h2-10H,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[1-(2-carboxyethenyl)naphthalen-2-yl]oxypropanoic acid?
2-[1-(2-carboxyethenyl)naphthalen-2-yl]oxypropanoic acid has a molecular weight of 286.28 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-carboxyethenyl)naphthalen-2-yl]oxypropanoic acid is sourced from PubChem (CID 76914309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).