2-phenoxyethyl 3,3-diphenylprop-2-enoate

C23H20O3 — CID 71400914

IUPAC2-phenoxyethyl 3,3-diphenylprop-2-enoate
SMILESO=C(C=C(c1ccccc1)c1ccccc1)OCCOc1ccccc1
InChIInChI=1S/C23H20O3/c24-23(26-17-16-25-21-14-8-3-9-15-21)18-22(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-15,18H,16-17H2
InChIKeyCOEMXPPLVDUYCR-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.74
Rot. Bonds7

About 2-phenoxyethyl 3,3-diphenylprop-2-enoate

2-phenoxyethyl 3,3-diphenylprop-2-enoate (PubChem CID 71400914) has the molecular formula C23H20O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-phenoxyethyl 3,3-diphenylprop-2-enoate.

Molecular Properties

Compound Name2-phenoxyethyl 3,3-diphenylprop-2-enoate
PubChem CID71400914
Molecular FormulaC23H20O3
Molecular Weight344.41 g/mol
Exact Mass344.14
IUPAC Name2-phenoxyethyl 3,3-diphenylprop-2-enoate
SMILESO=C(C=C(c1ccccc1)c1ccccc1)OCCOc1ccccc1
InChIInChI=1S/C23H20O3/c24-23(26-17-16-25-21-14-8-3-9-15-21)18-22(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-15,18H,16-17H2
InChIKeyCOEMXPPLVDUYCR-UHFFFAOYSA-N
XLogP4.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.74
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'}

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Related Compounds

2-hydroxyethyl 3,3-diphenylprop-2-enoate
CID 15648396
2-[4-(2,2-diphenylethenyl)phenoxy]ethyl prop-2-enoate
CID 167210341
methyl prop-2-enoate;2-phenoxyethyl prop-2-enoate
CID 174741391
2-phenoxyethyl 2-aminoacetate
CID 61302270
2-phenoxyethyl 3-(2-chlorophenyl)prop-2-enoate
CID 4980822
2-phenoxyethyl 2-aminopropanoate
CID 61301873
ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 85223132
2-phenoxyethyl 3-amino-2-methylpropanoate
CID 62671141
2-phenoxyethyl 3-(4-methylphenyl)prop-2-enoate
CID 4980924
bis(2-phenoxyethyl) benzene-1,2-dicarboxylate;bis(2-phenoxyethyl) benzene-1,3-dicarboxylate
CID 167602955
methane;2-(4-phenylphenoxy)ethyl prop-2-enoate
CID 159356060
2-phenoxyethyl (2E,4E)-3-methylundeca-2,4-dienoate
CID 11012548

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl 3,3-diphenylprop-2-enoate?
The IUPAC name of 2-phenoxyethyl 3,3-diphenylprop-2-enoate (CID 71400914) is 2-phenoxyethyl 3,3-diphenylprop-2-enoate.
What is the SMILES notation for 2-phenoxyethyl 3,3-diphenylprop-2-enoate?
The canonical SMILES for 2-phenoxyethyl 3,3-diphenylprop-2-enoate is O=C(C=C(c1ccccc1)c1ccccc1)OCCOc1ccccc1.
What is the InChIKey of 2-phenoxyethyl 3,3-diphenylprop-2-enoate?
The InChIKey is COEMXPPLVDUYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O3/c24-23(26-17-16-25-21-14-8-3-9-15-21)18-22(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-15,18H,16-17H2.
What are the key properties of 2-phenoxyethyl 3,3-diphenylprop-2-enoate?
2-phenoxyethyl 3,3-diphenylprop-2-enoate has a molecular weight of 344.41 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl 3,3-diphenylprop-2-enoate is sourced from PubChem (CID 71400914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).