2-phenoxyethyl 3-(2-chlorophenyl)prop-2-enoate

C17H15ClO3 — CID 4980822

IUPAC2-phenoxyethyl 3-(2-chlorophenyl)prop-2-enoate
SMILESO=C(C=Cc1ccccc1Cl)OCCOc1ccccc1
InChIInChI=1S/C17H15ClO3/c18-16-9-5-4-6-14(16)10-11-17(19)21-13-12-20-15-7-2-1-3-8-15/h1-11H,12-13H2
InChIKeyFZIOXOHHDPJLTI-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.98
Rot. Bonds6

About 2-phenoxyethyl 3-(2-chlorophenyl)prop-2-enoate

2-phenoxyethyl 3-(2-chlorophenyl)prop-2-enoate (PubChem CID 4980822) has the molecular formula C17H15ClO3 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-phenoxyethyl 3-(2-chlorophenyl)prop-2-enoate.

Molecular Properties

Compound Name2-phenoxyethyl 3-(2-chlorophenyl)prop-2-enoate
PubChem CID4980822
Molecular FormulaC17H15ClO3
Molecular Weight302.76 g/mol
Exact Mass302.07
IUPAC Name2-phenoxyethyl 3-(2-chlorophenyl)prop-2-enoate
SMILESO=C(C=Cc1ccccc1Cl)OCCOc1ccccc1
InChIInChI=1S/C17H15ClO3/c18-16-9-5-4-6-14(16)10-11-17(19)21-13-12-20-15-7-2-1-3-8-15/h1-11H,12-13H2
InChIKeyFZIOXOHHDPJLTI-UHFFFAOYSA-N
XLogP3.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-phenoxyethyl 3-(2-chlorophenyl)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-(4-sulfamoylphenoxy)ethyl (E)-3-(2-chlorophenyl)prop-2-enoate
CID 9285858
2-phenoxyethyl (E)-3-(2-nitrophenyl)prop-2-enoate
CID 2543840
amino (E)-3-(2-chlorophenyl)prop-2-enoate
CID 10012953
2-phenoxyethyl 3-(4-methylphenyl)prop-2-enoate
CID 4980924
(E)-3-(2-chlorophenyl)prop-2-enoic acid
CID 700642
3-[2-[2-(2-chlorophenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20987887
3-[2-[2-(4-chlorophenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20994228
2-phenoxyethyl 3,3-diphenylprop-2-enoate
CID 71400914
2-phenoxyethyl 3-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]prop-2-enoate
CID 5027117
[2-oxo-2-(propylamino)ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 2413557
(4-cyanophenyl)methyl (E)-3-(2-chlorophenyl)prop-2-enoate
CID 6055047
[2-(N-methylanilino)-2-oxoethyl] 3-(2-chlorophenyl)prop-2-enoate
CID 4166731

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl 3-(2-chlorophenyl)prop-2-enoate?
The IUPAC name of 2-phenoxyethyl 3-(2-chlorophenyl)prop-2-enoate (CID 4980822) is 2-phenoxyethyl 3-(2-chlorophenyl)prop-2-enoate.
What is the SMILES notation for 2-phenoxyethyl 3-(2-chlorophenyl)prop-2-enoate?
The canonical SMILES for 2-phenoxyethyl 3-(2-chlorophenyl)prop-2-enoate is O=C(C=Cc1ccccc1Cl)OCCOc1ccccc1.
What is the InChIKey of 2-phenoxyethyl 3-(2-chlorophenyl)prop-2-enoate?
The InChIKey is FZIOXOHHDPJLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO3/c18-16-9-5-4-6-14(16)10-11-17(19)21-13-12-20-15-7-2-1-3-8-15/h1-11H,12-13H2.
What are the key properties of 2-phenoxyethyl 3-(2-chlorophenyl)prop-2-enoate?
2-phenoxyethyl 3-(2-chlorophenyl)prop-2-enoate has a molecular weight of 302.76 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl 3-(2-chlorophenyl)prop-2-enoate is sourced from PubChem (CID 4980822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).