4-[(E)-2-carboxyethenyl]naphthalene-2-carboxylic acid

C14H10O4 — CID 6447549

IUPAC4-[(E)-2-carboxyethenyl]naphthalene-2-carboxylic acid
SMILESO=C(O)/C=C/c1cc(C(=O)O)cc2ccccc12
InChIInChI=1S/C14H10O4/c15-13(16)6-5-10-8-11(14(17)18)7-9-3-1-2-4-12(9)10/h1-8H,(H,15,16)(H,17,18)/b6-5+
InChIKeyIAHVQWHVEHSUAP-AATRIKPKSA-N
MW242.23 g/mol
LogP2.64
Rot. Bonds3

About 4-[(E)-2-carboxyethenyl]naphthalene-2-carboxylic acid

4-[(E)-2-carboxyethenyl]naphthalene-2-carboxylic acid (PubChem CID 6447549) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 4-[(E)-2-carboxyethenyl]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(E)-2-carboxyethenyl]naphthalene-2-carboxylic acid
PubChem CID6447549
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Name4-[(E)-2-carboxyethenyl]naphthalene-2-carboxylic acid
SMILESO=C(O)/C=C/c1cc(C(=O)O)cc2ccccc12
InChIInChI=1S/C14H10O4/c15-13(16)6-5-10-8-11(14(17)18)7-9-3-1-2-4-12(9)10/h1-8H,(H,15,16)(H,17,18)/b6-5+
InChIKeyIAHVQWHVEHSUAP-AATRIKPKSA-N
XLogP2.64
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-carboxyethenyl]naphthalene-2-carboxylic acid?
The IUPAC name of 4-[(E)-2-carboxyethenyl]naphthalene-2-carboxylic acid (CID 6447549) is 4-[(E)-2-carboxyethenyl]naphthalene-2-carboxylic acid.
What is the SMILES notation for 4-[(E)-2-carboxyethenyl]naphthalene-2-carboxylic acid?
The canonical SMILES for 4-[(E)-2-carboxyethenyl]naphthalene-2-carboxylic acid is O=C(O)/C=C/c1cc(C(=O)O)cc2ccccc12.
What is the InChIKey of 4-[(E)-2-carboxyethenyl]naphthalene-2-carboxylic acid?
The InChIKey is IAHVQWHVEHSUAP-AATRIKPKSA-N. The full InChI is InChI=1S/C14H10O4/c15-13(16)6-5-10-8-11(14(17)18)7-9-3-1-2-4-12(9)10/h1-8H,(H,15,16)(H,17,18)/b6-5+.
What are the key properties of 4-[(E)-2-carboxyethenyl]naphthalene-2-carboxylic acid?
4-[(E)-2-carboxyethenyl]naphthalene-2-carboxylic acid has a molecular weight of 242.23 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-carboxyethenyl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 6447549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).