4-(2-ethenoxyethoxy)benzoic acid

C11H12O4 — CID 15390034

IUPAC4-(2-ethenoxyethoxy)benzoic acid
SMILESC=COCCOc1ccc(C(=O)O)cc1
InChIInChI=1S/C11H12O4/c1-2-14-7-8-15-10-5-3-9(4-6-10)11(12)13/h2-6H,1,7-8H2,(H,12,13)
InChIKeyYTHJOXKIXKMCFM-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.92
Rot. Bonds6

About 4-(2-ethenoxyethoxy)benzoic acid

4-(2-ethenoxyethoxy)benzoic acid (PubChem CID 15390034) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 4-(2-ethenoxyethoxy)benzoic acid.

Molecular Properties

Compound Name4-(2-ethenoxyethoxy)benzoic acid
PubChem CID15390034
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name4-(2-ethenoxyethoxy)benzoic acid
SMILESC=COCCOc1ccc(C(=O)O)cc1
InChIInChI=1S/C11H12O4/c1-2-14-7-8-15-10-5-3-9(4-6-10)11(12)13/h2-6H,1,7-8H2,(H,12,13)
InChIKeyYTHJOXKIXKMCFM-UHFFFAOYSA-N
XLogP1.92
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-ethenoxyethoxy)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium 4-(2-ethenoxyethoxy)benzoate
CID 66850784
benzoic acid;bis(4-(2-methoxyethoxy)benzoic acid)
CID 91308161
4-(4-pent-4-enoxyphenyl)benzoic acid
CID 19419405
benzene;4-prop-2-enoxybenzoic acid
CID 174857047
4-[2-(4-aminophenoxy)ethoxy]benzoic acid
CID 82147710
4-[2-(4-bromophenoxy)ethoxy]benzoic acid
CID 20984535
4-(4-formyloxybutoxy)benzoic acid
CID 143677137
4-(3-hydroxypropoxy)benzoic acid
CID 13423286
1,5-bis[4-(2-ethenoxyethoxy)phenyl]penta-1,4-dien-3-one
CID 54454949
magnesium;4-(2-ethenoxyethoxy)benzenesulfonic acid;hydride
CID 173129302
4-(10-prop-2-enoyloxydecoxy)benzoic acid
CID 18942550
1-(2-ethenoxyethoxy)-4-methylbenzene
CID 21338012

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethenoxyethoxy)benzoic acid?
The IUPAC name of 4-(2-ethenoxyethoxy)benzoic acid (CID 15390034) is 4-(2-ethenoxyethoxy)benzoic acid.
What is the SMILES notation for 4-(2-ethenoxyethoxy)benzoic acid?
The canonical SMILES for 4-(2-ethenoxyethoxy)benzoic acid is C=COCCOc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(2-ethenoxyethoxy)benzoic acid?
The InChIKey is YTHJOXKIXKMCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-2-14-7-8-15-10-5-3-9(4-6-10)11(12)13/h2-6H,1,7-8H2,(H,12,13).
What are the key properties of 4-(2-ethenoxyethoxy)benzoic acid?
4-(2-ethenoxyethoxy)benzoic acid has a molecular weight of 208.21 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethenoxyethoxy)benzoic acid is sourced from PubChem (CID 15390034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).