2-(2-nonylphenyl)ethyl prop-2-enoate

C20H30O2 — CID 67822598

IUPAC2-(2-nonylphenyl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccccc1CCCCCCCCC
InChIInChI=1S/C20H30O2/c1-3-5-6-7-8-9-10-13-18-14-11-12-15-19(18)16-17-22-20(21)4-2/h4,11-12,14-15H,2-3,5-10,13,16-17H2,1H3
InChIKeyGPZIUWCNBMDGCL-UHFFFAOYSA-N
MW302.46 g/mol
LogP5.25
Rot. Bonds12

About 2-(2-nonylphenyl)ethyl prop-2-enoate

2-(2-nonylphenyl)ethyl prop-2-enoate (PubChem CID 67822598) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 2-(2-nonylphenyl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(2-nonylphenyl)ethyl prop-2-enoate
PubChem CID67822598
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name2-(2-nonylphenyl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccccc1CCCCCCCCC
InChIInChI=1S/C20H30O2/c1-3-5-6-7-8-9-10-13-18-14-11-12-15-19(18)16-17-22-20(21)4-2/h4,11-12,14-15H,2-3,5-10,13,16-17H2,1H3
InChIKeyGPZIUWCNBMDGCL-UHFFFAOYSA-N
XLogP5.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-nonylphenyl)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

dimethyl-[[2-(2-prop-2-enoyloxyethyl)phenyl]methyl]azanium chloride
CID 87166362
(2-hexadecylphenyl) prop-2-enoate
CID 141143244
butyl prop-2-enoate;1,2-xylene
CID 70409011
3-[2-(aminomethyl)phenyl]propyl prop-2-enoate
CID 174579618
styrene;tridecyl prop-2-enoate
CID 70120047
methyl-[[2-(2-prop-2-enoyloxyethyl)phenyl]methyl]azanium chloride
CID 141252763
decyl prop-2-enoate
CID 162172023
carbonic acid;1,2-dihexylbenzene
CID 174444225
pentatriacontyl prop-2-enoate
CID 141309454
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669

Frequently Asked Questions

What is the IUPAC name of 2-(2-nonylphenyl)ethyl prop-2-enoate?
The IUPAC name of 2-(2-nonylphenyl)ethyl prop-2-enoate (CID 67822598) is 2-(2-nonylphenyl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(2-nonylphenyl)ethyl prop-2-enoate?
The canonical SMILES for 2-(2-nonylphenyl)ethyl prop-2-enoate is C=CC(=O)OCCc1ccccc1CCCCCCCCC.
What is the InChIKey of 2-(2-nonylphenyl)ethyl prop-2-enoate?
The InChIKey is GPZIUWCNBMDGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2/c1-3-5-6-7-8-9-10-13-18-14-11-12-15-19(18)16-17-22-20(21)4-2/h4,11-12,14-15H,2-3,5-10,13,16-17H2,1H3.
What are the key properties of 2-(2-nonylphenyl)ethyl prop-2-enoate?
2-(2-nonylphenyl)ethyl prop-2-enoate has a molecular weight of 302.46 g/mol, XLogP of 5.25, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nonylphenyl)ethyl prop-2-enoate is sourced from PubChem (CID 67822598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).