3,8-bis(ethenyl)naphthalene-2-carboxylic acid

C15H12O2 — CID 139981471

IUPAC3,8-bis(ethenyl)naphthalene-2-carboxylic acid
SMILESC=Cc1cc2cccc(C=C)c2cc1C(=O)O
InChIInChI=1S/C15H12O2/c1-3-10-6-5-7-12-8-11(4-2)14(15(16)17)9-13(10)12/h3-9H,1-2H2,(H,16,17)
InChIKeyNNHMDFYINDUJTG-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.82
Rot. Bonds3

About 3,8-bis(ethenyl)naphthalene-2-carboxylic acid

3,8-bis(ethenyl)naphthalene-2-carboxylic acid (PubChem CID 139981471) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3,8-bis(ethenyl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3,8-bis(ethenyl)naphthalene-2-carboxylic acid
PubChem CID139981471
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name3,8-bis(ethenyl)naphthalene-2-carboxylic acid
SMILESC=Cc1cc2cccc(C=C)c2cc1C(=O)O
InChIInChI=1S/C15H12O2/c1-3-10-6-5-7-12-8-11(4-2)14(15(16)17)9-13(10)12/h3-9H,1-2H2,(H,16,17)
InChIKeyNNHMDFYINDUJTG-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

4,8-bis(ethenyl)naphthalene-1-carboxylic acid
CID 139981483
acetic acid;ethane;bis(1-ethenylnaphthalene)
CID 91317530
2-ethenylbenzoic acid;europium
CID 174925184
calcium;2-ethenylbenzoic acid;hydride
CID 174462542
2-ethenylterephthalic acid
CID 21087698
benzoic acid;2-ethenylbenzoic acid
CID 158841861
3-ethenyl-2-ethylbenzoic acid
CID 70289721
2-ethenyl-4-iodobenzoic acid
CID 147251599
2-ethenylbenzene-1,3-dicarboxylic acid
CID 141248980
3,5-bis(prop-2-enyl)naphthalene-2-carboxylic acid
CID 139984848
4,6-bis(ethenyl)naphthalene-2-carboxylic acid
CID 139981486
5-chloro-2-ethenyl-4-methylbenzoic acid
CID 130591320

Frequently Asked Questions

What is the IUPAC name of 3,8-bis(ethenyl)naphthalene-2-carboxylic acid?
The IUPAC name of 3,8-bis(ethenyl)naphthalene-2-carboxylic acid (CID 139981471) is 3,8-bis(ethenyl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 3,8-bis(ethenyl)naphthalene-2-carboxylic acid?
The canonical SMILES for 3,8-bis(ethenyl)naphthalene-2-carboxylic acid is C=Cc1cc2cccc(C=C)c2cc1C(=O)O.
What is the InChIKey of 3,8-bis(ethenyl)naphthalene-2-carboxylic acid?
The InChIKey is NNHMDFYINDUJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c1-3-10-6-5-7-12-8-11(4-2)14(15(16)17)9-13(10)12/h3-9H,1-2H2,(H,16,17).
What are the key properties of 3,8-bis(ethenyl)naphthalene-2-carboxylic acid?
3,8-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 3,8-bis(ethenyl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 139981471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).