4,6-bis(ethenyl)naphthalene-2-carboxylic acid

C15H12O2 — CID 139981486

IUPAC4,6-bis(ethenyl)naphthalene-2-carboxylic acid
SMILESC=Cc1ccc2cc(C(=O)O)cc(C=C)c2c1
InChIInChI=1S/C15H12O2/c1-3-10-5-6-12-9-13(15(16)17)8-11(4-2)14(12)7-10/h3-9H,1-2H2,(H,16,17)
InChIKeyURSLFDKOKJHINH-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.82
Rot. Bonds3

About 4,6-bis(ethenyl)naphthalene-2-carboxylic acid

4,6-bis(ethenyl)naphthalene-2-carboxylic acid (PubChem CID 139981486) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4,6-bis(ethenyl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4,6-bis(ethenyl)naphthalene-2-carboxylic acid
PubChem CID139981486
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name4,6-bis(ethenyl)naphthalene-2-carboxylic acid
SMILESC=Cc1ccc2cc(C(=O)O)cc(C=C)c2c1
InChIInChI=1S/C15H12O2/c1-3-10-5-6-12-9-13(15(16)17)8-11(4-2)14(12)7-10/h3-9H,1-2H2,(H,16,17)
InChIKeyURSLFDKOKJHINH-UHFFFAOYSA-N
XLogP3.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethenylbenzoic acid;silver
CID 58108047
1-(6-ethenylnaphthalen-2-yl)ethanone
CID 139900374
2-ethenylterephthalic acid
CID 21087698
benzene-1,3-dicarboxylic acid;styrene
CID 159798879
4-ethenylphthalic acid
CID 90982643
4-(4-ethenylphenyl)benzoic acid
CID 10955203
4-ethenylbenzoic acid;styrene
CID 22341601
3,8-bis(ethenyl)naphthalene-2-carboxylic acid
CID 139981471
1,3-bis(ethenyl)-7-methylnaphthalene
CID 59335501
2-[(2-carboxy-5-ethenylphenyl)methyl]-4-ethenylbenzoic acid
CID 54324014
ethene;naphthalene-2,6-dicarboxylic acid
CID 66988682
4-[(E)-2-carboxyethenyl]naphthalene-2-carboxylic acid
CID 6447549

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(ethenyl)naphthalene-2-carboxylic acid?
The IUPAC name of 4,6-bis(ethenyl)naphthalene-2-carboxylic acid (CID 139981486) is 4,6-bis(ethenyl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 4,6-bis(ethenyl)naphthalene-2-carboxylic acid?
The canonical SMILES for 4,6-bis(ethenyl)naphthalene-2-carboxylic acid is C=Cc1ccc2cc(C(=O)O)cc(C=C)c2c1.
What is the InChIKey of 4,6-bis(ethenyl)naphthalene-2-carboxylic acid?
The InChIKey is URSLFDKOKJHINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c1-3-10-5-6-12-9-13(15(16)17)8-11(4-2)14(12)7-10/h3-9H,1-2H2,(H,16,17).
What are the key properties of 4,6-bis(ethenyl)naphthalene-2-carboxylic acid?
4,6-bis(ethenyl)naphthalene-2-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(ethenyl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 139981486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).