ethyl 2-[2-(2-phenylphenyl)ethoxy]prop-2-enoate

C19H20O3 — CID 175448062

IUPACethyl 2-[2-(2-phenylphenyl)ethoxy]prop-2-enoate
SMILESC=C(OCCc1ccccc1-c1ccccc1)C(=O)OCC
InChIInChI=1S/C19H20O3/c1-3-21-19(20)15(2)22-14-13-17-11-7-8-12-18(17)16-9-5-4-6-10-16/h4-12H,2-3,13-14H2,1H3
InChIKeyBPQJAIGIRSTMHW-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.99
Rot. Bonds7

About ethyl 2-[2-(2-phenylphenyl)ethoxy]prop-2-enoate

ethyl 2-[2-(2-phenylphenyl)ethoxy]prop-2-enoate (PubChem CID 175448062) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl 2-[2-(2-phenylphenyl)ethoxy]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[2-(2-phenylphenyl)ethoxy]prop-2-enoate
PubChem CID175448062
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Nameethyl 2-[2-(2-phenylphenyl)ethoxy]prop-2-enoate
SMILESC=C(OCCc1ccccc1-c1ccccc1)C(=O)OCC
InChIInChI=1S/C19H20O3/c1-3-21-19(20)15(2)22-14-13-17-11-7-8-12-18(17)16-9-5-4-6-10-16/h4-12H,2-3,13-14H2,1H3
InChIKeyBPQJAIGIRSTMHW-UHFFFAOYSA-N
XLogP3.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 2-[2-(2-phenylphenyl)ethoxy]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

ethyl 4-(2-phenylphenyl)butanoate
CID 67832505
5-(2-phenylphenyl)pentyl 2-methylprop-2-enoate
CID 171768668
ethyl 2-[(2-phenylphenyl)methoxy]acetate
CID 141346159
2-methylidene-4-(2-phenylphenyl)butanoic acid
CID 90170002
1-ethyl-2-[2-(2-phenylphenyl)ethyl]benzene
CID 173431013
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814
carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533
ethyl 2-(2-phenylphenyl)but-2-enoate
CID 141332737
ethyl 2-(4-phenylphenyl)acetate;2-(2-phenylphenyl)acetic acid
CID 70442423
1-phenyl-3-(2-phenylphenyl)propan-1-one
CID 159880463
ethyl 2-methyl-6-phenylbenzoate
CID 86249615
benzyl 2-(2-methoxyethoxy)prop-2-enoate
CID 141018088

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-phenylphenyl)ethoxy]prop-2-enoate?
The IUPAC name of ethyl 2-[2-(2-phenylphenyl)ethoxy]prop-2-enoate (CID 175448062) is ethyl 2-[2-(2-phenylphenyl)ethoxy]prop-2-enoate.
What is the SMILES notation for ethyl 2-[2-(2-phenylphenyl)ethoxy]prop-2-enoate?
The canonical SMILES for ethyl 2-[2-(2-phenylphenyl)ethoxy]prop-2-enoate is C=C(OCCc1ccccc1-c1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl 2-[2-(2-phenylphenyl)ethoxy]prop-2-enoate?
The InChIKey is BPQJAIGIRSTMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-3-21-19(20)15(2)22-14-13-17-11-7-8-12-18(17)16-9-5-4-6-10-16/h4-12H,2-3,13-14H2,1H3.
What are the key properties of ethyl 2-[2-(2-phenylphenyl)ethoxy]prop-2-enoate?
ethyl 2-[2-(2-phenylphenyl)ethoxy]prop-2-enoate has a molecular weight of 296.37 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-phenylphenyl)ethoxy]prop-2-enoate is sourced from PubChem (CID 175448062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).