ethenol;2-ethenoxycarbonylbenzoic acid

C12H12O5 — CID 174432530

IUPACethenol;2-ethenoxycarbonylbenzoic acid
SMILESC=CO.C=COC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C10H8O4.C2H4O/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12;1-2-3/h2-6H,1H2,(H,11,12);2-3H,1H2
InChIKeyLBFVFIUFXSQJBG-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.37
Rot. Bonds3

About ethenol;2-ethenoxycarbonylbenzoic acid

ethenol;2-ethenoxycarbonylbenzoic acid (PubChem CID 174432530) has the molecular formula C12H12O5 and a molecular weight of 236.22 g/mol. Its IUPAC name is ethenol;2-ethenoxycarbonylbenzoic acid.

Molecular Properties

Compound Nameethenol;2-ethenoxycarbonylbenzoic acid
PubChem CID174432530
Molecular FormulaC12H12O5
Molecular Weight236.22 g/mol
Exact Mass236.07
IUPAC Nameethenol;2-ethenoxycarbonylbenzoic acid
SMILESC=CO.C=COC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C10H8O4.C2H4O/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12;1-2-3/h2-6H,1H2,(H,11,12);2-3H,1H2
InChIKeyLBFVFIUFXSQJBG-UHFFFAOYSA-N
XLogP2.37
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-ethenoxycarbonyl-3-hydroxybenzoic acid
CID 54475274
ethene;ethenyl 2-hydroxybenzoate
CID 159926426
ethenyl benzoate
CID 158178912
2-(2-acetyloxyethenoxycarbonyl)benzoic acid
CID 174658388
formic acid;phthalic acid
CID 159829564
CID 69279397
CID 69279397
formaldehyde;phthalic acid
CID 174659618
ethene;2-ethoxycarbonylbenzoic acid
CID 159652266
ethenyl 2-(1,3-dioxoisoindol-2-yl)benzoate
CID 56998592
phthalic acid;prop-2-enamide
CID 89485931
hydron;phthalic acid
CID 67386665
CID 66717184
CID 66717184

Frequently Asked Questions

What is the IUPAC name of ethenol;2-ethenoxycarbonylbenzoic acid?
The IUPAC name of ethenol;2-ethenoxycarbonylbenzoic acid (CID 174432530) is ethenol;2-ethenoxycarbonylbenzoic acid.
What is the SMILES notation for ethenol;2-ethenoxycarbonylbenzoic acid?
The canonical SMILES for ethenol;2-ethenoxycarbonylbenzoic acid is C=CO.C=COC(=O)c1ccccc1C(=O)O.
What is the InChIKey of ethenol;2-ethenoxycarbonylbenzoic acid?
The InChIKey is LBFVFIUFXSQJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4.C2H4O/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12;1-2-3/h2-6H,1H2,(H,11,12);2-3H,1H2.
What are the key properties of ethenol;2-ethenoxycarbonylbenzoic acid?
ethenol;2-ethenoxycarbonylbenzoic acid has a molecular weight of 236.22 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenol;2-ethenoxycarbonylbenzoic acid is sourced from PubChem (CID 174432530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).