2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate

C13H16O5 — CID 147852586

IUPAC2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccccc1OCCO
InChIInChI=1S/C13H16O5/c1-2-13(15)18-10-9-17-12-6-4-3-5-11(12)16-8-7-14/h2-6,14H,1,7-10H2
InChIKeyHVCLXFQGGNTSEC-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.17
Rot. Bonds8

About 2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate

2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate (PubChem CID 147852586) has the molecular formula C13H16O5 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate
PubChem CID147852586
Molecular FormulaC13H16O5
Molecular Weight252.27 g/mol
Exact Mass252.10
IUPAC Name2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccccc1OCCO
InChIInChI=1S/C13H16O5/c1-2-13(15)18-10-9-17-12-6-4-3-5-11(12)16-8-7-14/h2-6,14H,1,7-10H2
InChIKeyHVCLXFQGGNTSEC-UHFFFAOYSA-N
XLogP1.17
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(2-hydroxyethoxy)phenoxy]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-[2-(2-phenylphenoxy)ethoxy]ethyl prop-2-enoate
CID 23290048
2-(2-prop-2-enoyloxyethoxy)benzoic acid
CID 18974630
2-(2,3-diaminophenoxy)ethyl prop-2-enoate
CID 141212699
2-(2-propylphenoxy)ethyl prop-2-enoate
CID 154077444
2-(2-nitrophenoxy)ethyl prop-2-enoate
CID 102248252
2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl prop-2-enoate
CID 54505506
2-[2-[2-[2-phenyl-4-[3-phenyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 139696115
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
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate
CID 160842245
3-(2-acetylphenoxy)propyl prop-2-enoate
CID 142301416
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate (CID 147852586) is 2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate is C=CC(=O)OCCOc1ccccc1OCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate?
The InChIKey is HVCLXFQGGNTSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O5/c1-2-13(15)18-10-9-17-12-6-4-3-5-11(12)16-8-7-14/h2-6,14H,1,7-10H2.
What are the key properties of 2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate?
2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate has a molecular weight of 252.27 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate is sourced from PubChem (CID 147852586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).