2-hydroxyethyl 2-[(2-ethenylphenyl)methyl]prop-2-enoate

C14H16O3 — CID 150729412

IUPAC2-hydroxyethyl 2-[(2-ethenylphenyl)methyl]prop-2-enoate
SMILESC=Cc1ccccc1CC(=C)C(=O)OCCO
InChIInChI=1S/C14H16O3/c1-3-12-6-4-5-7-13(12)10-11(2)14(16)17-9-8-15/h3-7,15H,1-2,8-10H2
InChIKeyJRNIIUMPNAEURI-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.96
Rot. Bonds6

About 2-hydroxyethyl 2-[(2-ethenylphenyl)methyl]prop-2-enoate

2-hydroxyethyl 2-[(2-ethenylphenyl)methyl]prop-2-enoate (PubChem CID 150729412) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-hydroxyethyl 2-[(2-ethenylphenyl)methyl]prop-2-enoate.

Molecular Properties

Compound Name2-hydroxyethyl 2-[(2-ethenylphenyl)methyl]prop-2-enoate
PubChem CID150729412
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name2-hydroxyethyl 2-[(2-ethenylphenyl)methyl]prop-2-enoate
SMILESC=Cc1ccccc1CC(=C)C(=O)OCCO
InChIInChI=1S/C14H16O3/c1-3-12-6-4-5-7-13(12)10-11(2)14(16)17-9-8-15/h3-7,15H,1-2,8-10H2
InChIKeyJRNIIUMPNAEURI-UHFFFAOYSA-N
XLogP1.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-hydroxyethyl 2-[(2-ethenylphenyl)methyl]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

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-[(2-ethenylphenyl)methyl]prop-2-enoate?
The IUPAC name of 2-hydroxyethyl 2-[(2-ethenylphenyl)methyl]prop-2-enoate (CID 150729412) is 2-hydroxyethyl 2-[(2-ethenylphenyl)methyl]prop-2-enoate.
What is the SMILES notation for 2-hydroxyethyl 2-[(2-ethenylphenyl)methyl]prop-2-enoate?
The canonical SMILES for 2-hydroxyethyl 2-[(2-ethenylphenyl)methyl]prop-2-enoate is C=Cc1ccccc1CC(=C)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-[(2-ethenylphenyl)methyl]prop-2-enoate?
The InChIKey is JRNIIUMPNAEURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-3-12-6-4-5-7-13(12)10-11(2)14(16)17-9-8-15/h3-7,15H,1-2,8-10H2.
What are the key properties of 2-hydroxyethyl 2-[(2-ethenylphenyl)methyl]prop-2-enoate?
2-hydroxyethyl 2-[(2-ethenylphenyl)methyl]prop-2-enoate has a molecular weight of 232.28 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-[(2-ethenylphenyl)methyl]prop-2-enoate is sourced from PubChem (CID 150729412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).