4-ethenylphthalic acid

C20H16O8 — CID 90982643

IUPAC4-ethenylphthalic acid
SMILESC=Cc1ccc(C(=O)O)c(C(=O)O)c1.C=Cc1ccc(C(=O)O)c(C(=O)O)c1
InChIInChI=1S/2C10H8O4/c2*1-2-6-3-4-7(9(11)12)8(5-6)10(13)14/h2*2-5H,1H2,(H,11,12)(H,13,14)
InChIKeyCFZACZXBFFXTDG-UHFFFAOYSA-N
MW384.34 g/mol
LogP3.45
Rot. Bonds6

About 4-ethenylphthalic acid

4-ethenylphthalic acid (PubChem CID 90982643) has the molecular formula C20H16O8 and a molecular weight of 384.34 g/mol. Its IUPAC name is 4-ethenylphthalic acid.

Molecular Properties

Compound Name4-ethenylphthalic acid
PubChem CID90982643
Molecular FormulaC20H16O8
Molecular Weight384.34 g/mol
Exact Mass384.08
IUPAC Name4-ethenylphthalic acid
SMILESC=Cc1ccc(C(=O)O)c(C(=O)O)c1.C=Cc1ccc(C(=O)O)c(C(=O)O)c1
InChIInChI=1S/2C10H8O4/c2*1-2-6-3-4-7(9(11)12)8(5-6)10(13)14/h2*2-5H,1H2,(H,11,12)(H,13,14)
InChIKeyCFZACZXBFFXTDG-UHFFFAOYSA-N
XLogP3.45
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 53.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethenylphthalic acid;sulfuric acid
CID 175295961
2-[(1Z)-1-chlorobuta-1,3-dienyl]-4-ethenylbenzoic acid
CID 141165110
2-[(2-carboxy-5-ethenylphenyl)methyl]-4-ethenylbenzoic acid
CID 54324014
4-ethenyl-2-methylbenzoic acid;oxirane
CID 175584367
benzene-1,2,4,5-tetracarboxylic acid;ethene
CID 69404870
4-ethenyl-2-octadecylbenzoic acid
CID 67535409
1-(5-ethenyl-2-methylphenyl)ethanone
CID 143958265
benzene-1,2,4,5-tetracarboxylic acid;lanthanum
CID 157172767
4-ethenylbenzoic acid;silver
CID 58108047
benzene-1,2,4,5-tetracarboxylic acid;phthalic acid
CID 174433443
2-[(4-ethenylphenyl)methoxycarbonyl]terephthalic acid
CID 54141811
4-ethenyl-2-N,2-N-dimethylbenzene-1,2-dicarboxamide
CID 69404218

Frequently Asked Questions

What is the IUPAC name of 4-ethenylphthalic acid?
The IUPAC name of 4-ethenylphthalic acid (CID 90982643) is 4-ethenylphthalic acid.
What is the SMILES notation for 4-ethenylphthalic acid?
The canonical SMILES for 4-ethenylphthalic acid is C=Cc1ccc(C(=O)O)c(C(=O)O)c1.C=Cc1ccc(C(=O)O)c(C(=O)O)c1.
What is the InChIKey of 4-ethenylphthalic acid?
The InChIKey is CFZACZXBFFXTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8O4/c2*1-2-6-3-4-7(9(11)12)8(5-6)10(13)14/h2*2-5H,1H2,(H,11,12)(H,13,14).
What are the key properties of 4-ethenylphthalic acid?
4-ethenylphthalic acid has a molecular weight of 384.34 g/mol, XLogP of 3.45, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylphthalic acid is sourced from PubChem (CID 90982643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).