2-(3-hydroxyphenoxy)ethyl prop-2-enoate

C11H12O4 — CID 57126182

IUPAC2-(3-hydroxyphenoxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1cccc(O)c1
InChIInChI=1S/C11H12O4/c1-2-11(13)15-7-6-14-10-5-3-4-9(12)8-10/h2-5,8,12H,1,6-7H2
InChIKeyCDMPTWGJSLZCJT-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.50
Rot. Bonds5

About 2-(3-hydroxyphenoxy)ethyl prop-2-enoate

2-(3-hydroxyphenoxy)ethyl prop-2-enoate (PubChem CID 57126182) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-(3-hydroxyphenoxy)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(3-hydroxyphenoxy)ethyl prop-2-enoate
PubChem CID57126182
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name2-(3-hydroxyphenoxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1cccc(O)c1
InChIInChI=1S/C11H12O4/c1-2-11(13)15-7-6-14-10-5-3-4-9(12)8-10/h2-5,8,12H,1,6-7H2
InChIKeyCDMPTWGJSLZCJT-UHFFFAOYSA-N
XLogP1.50
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.50
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'}

Analyze 2-(3-hydroxyphenoxy)ethyl prop-2-enoate 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

2-[3-(prop-2-enoyloxymethyl)phenoxy]ethyl prop-2-enoate
CID 118333634
2-[3-(3-methylphenyl)phenoxy]ethyl prop-2-enoate
CID 70425725
methyl prop-2-enoate;2-phenoxyethyl prop-2-enoate
CID 174741391
2-pyridin-3-yloxyethyl prop-2-enoate
CID 59502785
3-(10-prop-2-enoyloxydecoxy)benzoic acid
CID 101392903
2-[[4,6-bis[3-(2-prop-2-enoyloxyethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate
CID 155065581
2-(4-bromophenoxy)ethyl prop-2-enoate
CID 141115524
4-(4-hydroxyphenoxy)butyl prop-2-enoate
CID 20566713
methane;2-(4-phenylphenoxy)ethyl prop-2-enoate
CID 159356060
2-[3-[[4-anilino-6-[3-(2-hydroxyethoxy)anilino]-1,3,5-triazin-2-yl]amino]phenoxy]ethyl prop-2-enoate
CID 155065667
3-(3-hydroxyphenoxy)propanal
CID 84765037
2-[4-[1,1-bis[4-(2-prop-2-enoyloxyethoxy)phenyl]ethyl]phenoxy]ethyl prop-2-enoate;ethane
CID 145475606

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenoxy)ethyl prop-2-enoate?
The IUPAC name of 2-(3-hydroxyphenoxy)ethyl prop-2-enoate (CID 57126182) is 2-(3-hydroxyphenoxy)ethyl prop-2-enoate.
What is the SMILES notation for 2-(3-hydroxyphenoxy)ethyl prop-2-enoate?
The canonical SMILES for 2-(3-hydroxyphenoxy)ethyl prop-2-enoate is C=CC(=O)OCCOc1cccc(O)c1.
What is the InChIKey of 2-(3-hydroxyphenoxy)ethyl prop-2-enoate?
The InChIKey is CDMPTWGJSLZCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-2-11(13)15-7-6-14-10-5-3-4-9(12)8-10/h2-5,8,12H,1,6-7H2.
What are the key properties of 2-(3-hydroxyphenoxy)ethyl prop-2-enoate?
2-(3-hydroxyphenoxy)ethyl prop-2-enoate has a molecular weight of 208.21 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenoxy)ethyl prop-2-enoate is sourced from PubChem (CID 57126182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).