2-[(2-carboxy-5-ethenylphenyl)methyl]-4-ethenylbenzoic acid

C19H16O4 — CID 54324014

IUPAC2-[(2-carboxy-5-ethenylphenyl)methyl]-4-ethenylbenzoic acid
SMILESC=Cc1ccc(C(=O)O)c(Cc2cc(C=C)ccc2C(=O)O)c1
InChIInChI=1S/C19H16O4/c1-3-12-5-7-16(18(20)21)14(9-12)11-15-10-13(4-2)6-8-17(15)19(22)23/h3-10H,1-2,11H2,(H,20,21)(H,22,23)
InChIKeySTQDHXWLXLVKHI-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.96
Rot. Bonds6

About 2-[(2-carboxy-5-ethenylphenyl)methyl]-4-ethenylbenzoic acid

2-[(2-carboxy-5-ethenylphenyl)methyl]-4-ethenylbenzoic acid (PubChem CID 54324014) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-[(2-carboxy-5-ethenylphenyl)methyl]-4-ethenylbenzoic acid.

Molecular Properties

Compound Name2-[(2-carboxy-5-ethenylphenyl)methyl]-4-ethenylbenzoic acid
PubChem CID54324014
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name2-[(2-carboxy-5-ethenylphenyl)methyl]-4-ethenylbenzoic acid
SMILESC=Cc1ccc(C(=O)O)c(Cc2cc(C=C)ccc2C(=O)O)c1
InChIInChI=1S/C19H16O4/c1-3-12-5-7-16(18(20)21)14(9-12)11-15-10-13(4-2)6-8-17(15)19(22)23/h3-10H,1-2,11H2,(H,20,21)(H,22,23)
InChIKeySTQDHXWLXLVKHI-UHFFFAOYSA-N
XLogP3.96
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethenylphthalic acid
CID 90982643
4-ethenyl-2-octadecylbenzoic acid
CID 67535409
4-ethenylphthalic acid;sulfuric acid
CID 175295961
carbonic acid;4-ethenyl-1,2-diethylbenzene
CID 160975944
2-[(1Z)-1-chlorobuta-1,3-dienyl]-4-ethenylbenzoic acid
CID 141165110
4-ethenyl-2-methylbenzoic acid;oxirane
CID 175584367
2-[(4-ethenylphenyl)methoxycarbonyl]terephthalic acid
CID 54141811
2-ethenylterephthalic acid
CID 21087698
2-[(4-carboxyphenyl)methyl]terephthalic acid
CID 14323682
1-benzyl-4-ethenyl-2-ethylbenzene
CID 22639192
4-ethenylbenzoic acid;silver
CID 58108047
1,4-bis(ethenyl)-2-ethylbenzene
CID 57040233

Frequently Asked Questions

What is the IUPAC name of 2-[(2-carboxy-5-ethenylphenyl)methyl]-4-ethenylbenzoic acid?
The IUPAC name of 2-[(2-carboxy-5-ethenylphenyl)methyl]-4-ethenylbenzoic acid (CID 54324014) is 2-[(2-carboxy-5-ethenylphenyl)methyl]-4-ethenylbenzoic acid.
What is the SMILES notation for 2-[(2-carboxy-5-ethenylphenyl)methyl]-4-ethenylbenzoic acid?
The canonical SMILES for 2-[(2-carboxy-5-ethenylphenyl)methyl]-4-ethenylbenzoic acid is C=Cc1ccc(C(=O)O)c(Cc2cc(C=C)ccc2C(=O)O)c1.
What is the InChIKey of 2-[(2-carboxy-5-ethenylphenyl)methyl]-4-ethenylbenzoic acid?
The InChIKey is STQDHXWLXLVKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-3-12-5-7-16(18(20)21)14(9-12)11-15-10-13(4-2)6-8-17(15)19(22)23/h3-10H,1-2,11H2,(H,20,21)(H,22,23).
What are the key properties of 2-[(2-carboxy-5-ethenylphenyl)methyl]-4-ethenylbenzoic acid?
2-[(2-carboxy-5-ethenylphenyl)methyl]-4-ethenylbenzoic acid has a molecular weight of 308.33 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-carboxy-5-ethenylphenyl)methyl]-4-ethenylbenzoic acid is sourced from PubChem (CID 54324014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).