ethene;ethenyl 2-hydroxybenzoate

C11H12O3 — CID 159926426

IUPACethene;ethenyl 2-hydroxybenzoate
SMILESC=C.C=COC(=O)c1ccccc1O
InChIInChI=1S/C9H8O3.C2H4/c1-2-12-9(11)7-5-3-4-6-8(7)10;1-2/h2-6,10H,1H2;1-2H2
InChIKeyNZBKQJSYNSJKMU-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.49
Rot. Bonds2

About ethene;ethenyl 2-hydroxybenzoate

ethene;ethenyl 2-hydroxybenzoate (PubChem CID 159926426) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is ethene;ethenyl 2-hydroxybenzoate.

Molecular Properties

Compound Nameethene;ethenyl 2-hydroxybenzoate
PubChem CID159926426
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Nameethene;ethenyl 2-hydroxybenzoate
SMILESC=C.C=COC(=O)c1ccccc1O
InChIInChI=1S/C9H8O3.C2H4/c1-2-12-9(11)7-5-3-4-6-8(7)10;1-2/h2-6,10H,1H2;1-2H2
InChIKeyNZBKQJSYNSJKMU-UHFFFAOYSA-N
XLogP2.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 174432530
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3-methylbuta-1,3-dienyl 2-hydroxybenzoate
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ethenyl benzoate
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ethenyl 2-(1-adamantyl)benzoate
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CID 69279397
CID 69279397
pent-1-en-3-yl 2-hydroxybenzoate
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ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
amino 2-hydroxybenzoate
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Frequently Asked Questions

What is the IUPAC name of ethene;ethenyl 2-hydroxybenzoate?
The IUPAC name of ethene;ethenyl 2-hydroxybenzoate (CID 159926426) is ethene;ethenyl 2-hydroxybenzoate.
What is the SMILES notation for ethene;ethenyl 2-hydroxybenzoate?
The canonical SMILES for ethene;ethenyl 2-hydroxybenzoate is C=C.C=COC(=O)c1ccccc1O.
What is the InChIKey of ethene;ethenyl 2-hydroxybenzoate?
The InChIKey is NZBKQJSYNSJKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3.C2H4/c1-2-12-9(11)7-5-3-4-6-8(7)10;1-2/h2-6,10H,1H2;1-2H2.
What are the key properties of ethene;ethenyl 2-hydroxybenzoate?
ethene;ethenyl 2-hydroxybenzoate has a molecular weight of 192.21 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;ethenyl 2-hydroxybenzoate is sourced from PubChem (CID 159926426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).