2-ethenylterephthalic acid

C10H8O4 — CID 21087698

IUPAC2-ethenylterephthalic acid
SMILESC=Cc1cc(C(=O)O)ccc1C(=O)O
InChIInChI=1S/C10H8O4/c1-2-6-5-7(9(11)12)3-4-8(6)10(13)14/h2-5H,1H2,(H,11,12)(H,13,14)
InChIKeyCFCMNKJCKDXHHO-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.73
Rot. Bonds3

About 2-ethenylterephthalic acid

2-ethenylterephthalic acid (PubChem CID 21087698) has the molecular formula C10H8O4 and a molecular weight of 192.17 g/mol. Its IUPAC name is 2-ethenylterephthalic acid.

Molecular Properties

Compound Name2-ethenylterephthalic acid
PubChem CID21087698
Molecular FormulaC10H8O4
Molecular Weight192.17 g/mol
Exact Mass192.04
IUPAC Name2-ethenylterephthalic acid
SMILESC=Cc1cc(C(=O)O)ccc1C(=O)O
InChIInChI=1S/C10H8O4/c1-2-6-5-7(9(11)12)3-4-8(6)10(13)14/h2-5H,1H2,(H,11,12)(H,13,14)
InChIKeyCFCMNKJCKDXHHO-UHFFFAOYSA-N
XLogP1.73
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethenyl-4-iodobenzoic acid
CID 147251599
2-ethenyl-4-(trifluoromethyl)benzoic acid
CID 154659502
4-[2-(4-carboxy-3-ethenylphenyl)propan-2-yl]-2-ethenylbenzoic acid
CID 139981573
benzoic acid;2-ethenylbenzoic acid
CID 158841861
ethane;3-ethenyl-4-(methylamino)benzoic acid
CID 145311632
2-[2-(2,5-dicarboxyphenyl)ethenyl]benzene-1,3-dicarboxylic acid
CID 141180991
benzene-1,2,4-tricarboxylic acid;dihydrate
CID 70292833
2-ethenylbenzoic acid;europium
CID 174925184
4-[2-(2,4-dicarboxyphenyl)ethenyl]benzene-1,3-dicarboxylic acid
CID 141181018
2-(4-sulfanylbut-1-enyl)terephthalic acid
CID 170479147
2-(4-aminobut-1-enyl)terephthalic acid
CID 170487722
1-[3-ethenyl-4-(2-iodoacetyl)phenyl]-2-iodoethanone
CID 88552809

Frequently Asked Questions

What is the IUPAC name of 2-ethenylterephthalic acid?
The IUPAC name of 2-ethenylterephthalic acid (CID 21087698) is 2-ethenylterephthalic acid.
What is the SMILES notation for 2-ethenylterephthalic acid?
The canonical SMILES for 2-ethenylterephthalic acid is C=Cc1cc(C(=O)O)ccc1C(=O)O.
What is the InChIKey of 2-ethenylterephthalic acid?
The InChIKey is CFCMNKJCKDXHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4/c1-2-6-5-7(9(11)12)3-4-8(6)10(13)14/h2-5H,1H2,(H,11,12)(H,13,14).
What are the key properties of 2-ethenylterephthalic acid?
2-ethenylterephthalic acid has a molecular weight of 192.17 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylterephthalic acid is sourced from PubChem (CID 21087698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).