2-(2-prop-2-enoyloxyethoxy)benzoic acid

C12H12O5 — CID 18974630

IUPAC2-(2-prop-2-enoyloxyethoxy)benzoic acid
SMILESC=CC(=O)OCCOc1ccccc1C(=O)O
InChIInChI=1S/C12H12O5/c1-2-11(13)17-8-7-16-10-6-4-3-5-9(10)12(14)15/h2-6H,1,7-8H2,(H,14,15)
InChIKeyOKZSNEDUVVLIRB-UHFFFAOYSA-N
MW236.22 g/mol
LogP1.49
Rot. Bonds6

About 2-(2-prop-2-enoyloxyethoxy)benzoic acid

2-(2-prop-2-enoyloxyethoxy)benzoic acid (PubChem CID 18974630) has the molecular formula C12H12O5 and a molecular weight of 236.22 g/mol. Its IUPAC name is 2-(2-prop-2-enoyloxyethoxy)benzoic acid.

Molecular Properties

Compound Name2-(2-prop-2-enoyloxyethoxy)benzoic acid
PubChem CID18974630
Molecular FormulaC12H12O5
Molecular Weight236.22 g/mol
Exact Mass236.07
IUPAC Name2-(2-prop-2-enoyloxyethoxy)benzoic acid
SMILESC=CC(=O)OCCOc1ccccc1C(=O)O
InChIInChI=1S/C12H12O5/c1-2-11(13)17-8-7-16-10-6-4-3-5-9(10)12(14)15/h2-6H,1,7-8H2,(H,14,15)
InChIKeyOKZSNEDUVVLIRB-UHFFFAOYSA-N
XLogP1.49
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806
2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate
CID 147852586
2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl prop-2-enoate
CID 54505506
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
3-(2-acetylphenoxy)propyl prop-2-enoate
CID 142301416
6-(2-benzoylphenoxy)hexyl prop-2-enoate
CID 172762769
2-[2-(2-phenylphenoxy)ethoxy]ethyl prop-2-enoate
CID 23290048
2-(2,3-diaminophenoxy)ethyl prop-2-enoate
CID 141212699
2-(2-propanoyloxyethoxy)benzoic acid
CID 141005328
2-(2-propylphenoxy)ethyl prop-2-enoate
CID 154077444
CID 70191473
CID 70191473
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enoyloxyethoxy)benzoic acid?
The IUPAC name of 2-(2-prop-2-enoyloxyethoxy)benzoic acid (CID 18974630) is 2-(2-prop-2-enoyloxyethoxy)benzoic acid.
What is the SMILES notation for 2-(2-prop-2-enoyloxyethoxy)benzoic acid?
The canonical SMILES for 2-(2-prop-2-enoyloxyethoxy)benzoic acid is C=CC(=O)OCCOc1ccccc1C(=O)O.
What is the InChIKey of 2-(2-prop-2-enoyloxyethoxy)benzoic acid?
The InChIKey is OKZSNEDUVVLIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O5/c1-2-11(13)17-8-7-16-10-6-4-3-5-9(10)12(14)15/h2-6H,1,7-8H2,(H,14,15).
What are the key properties of 2-(2-prop-2-enoyloxyethoxy)benzoic acid?
2-(2-prop-2-enoyloxyethoxy)benzoic acid has a molecular weight of 236.22 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enoyloxyethoxy)benzoic acid is sourced from PubChem (CID 18974630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).