benzoic acid;2-ethenylbenzoic acid

C16H14O4 — CID 158841861

IUPACbenzoic acid;2-ethenylbenzoic acid
SMILESC=Cc1ccccc1C(=O)O.O=C(O)c1ccccc1
InChIInChI=1S/C9H8O2.C7H6O2/c1-2-7-5-3-4-6-8(7)9(10)11;8-7(9)6-4-2-1-3-5-6/h2-6H,1H2,(H,10,11);1-5H,(H,8,9)
InChIKeyIYIQEJLOASDXSH-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.41
Rot. Bonds3

About benzoic acid;2-ethenylbenzoic acid

benzoic acid;2-ethenylbenzoic acid (PubChem CID 158841861) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is benzoic acid;2-ethenylbenzoic acid.

Molecular Properties

Compound Namebenzoic acid;2-ethenylbenzoic acid
PubChem CID158841861
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Namebenzoic acid;2-ethenylbenzoic acid
SMILESC=Cc1ccccc1C(=O)O.O=C(O)c1ccccc1
InChIInChI=1S/C9H8O2.C7H6O2/c1-2-7-5-3-4-6-8(7)9(10)11;8-7(9)6-4-2-1-3-5-6/h2-6H,1H2,(H,10,11);1-5H,(H,8,9)
InChIKeyIYIQEJLOASDXSH-UHFFFAOYSA-N
XLogP3.41
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-ethenylphenyl)-2-phenylethane-1,2-dione;hydrochloride
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2-ethenylterephthalic acid
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CID 20520746
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CID 18680456
CID 173313975
CID 173313975
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CID 23721872
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Frequently Asked Questions

What is the IUPAC name of benzoic acid;2-ethenylbenzoic acid?
The IUPAC name of benzoic acid;2-ethenylbenzoic acid (CID 158841861) is benzoic acid;2-ethenylbenzoic acid.
What is the SMILES notation for benzoic acid;2-ethenylbenzoic acid?
The canonical SMILES for benzoic acid;2-ethenylbenzoic acid is C=Cc1ccccc1C(=O)O.O=C(O)c1ccccc1.
What is the InChIKey of benzoic acid;2-ethenylbenzoic acid?
The InChIKey is IYIQEJLOASDXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2.C7H6O2/c1-2-7-5-3-4-6-8(7)9(10)11;8-7(9)6-4-2-1-3-5-6/h2-6H,1H2,(H,10,11);1-5H,(H,8,9).
What are the key properties of benzoic acid;2-ethenylbenzoic acid?
benzoic acid;2-ethenylbenzoic acid has a molecular weight of 270.28 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;2-ethenylbenzoic acid is sourced from PubChem (CID 158841861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).