ethyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate

C24H22O3 — CID 67768490

IUPACethyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate
SMILESCCOC(=O)c1ccc(C(=Cc2ccccc2)OCc2ccccc2)cc1
InChIInChI=1S/C24H22O3/c1-2-26-24(25)22-15-13-21(14-16-22)23(17-19-9-5-3-6-10-19)27-18-20-11-7-4-8-12-20/h3-17H,2,18H2,1H3
InChIKeyQLMSOGRPDHCPCW-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.58
Rot. Bonds7

About ethyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate

ethyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate (PubChem CID 67768490) has the molecular formula C24H22O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is ethyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate
PubChem CID67768490
Molecular FormulaC24H22O3
Molecular Weight358.44 g/mol
Exact Mass358.16
IUPAC Nameethyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate
SMILESCCOC(=O)c1ccc(C(=Cc2ccccc2)OCc2ccccc2)cc1
InChIInChI=1S/C24H22O3/c1-2-26-24(25)22-15-13-21(14-16-22)23(17-19-9-5-3-6-10-19)27-18-20-11-7-4-8-12-20/h3-17H,2,18H2,1H3
InChIKeyQLMSOGRPDHCPCW-UHFFFAOYSA-N
XLogP5.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate
CID 67768380
[(Z)-1,2-diphenylethenoxy]methylbenzene
CID 134952285
[(Z)-1-ethoxy-2-phenylethenyl]benzene
CID 12610888
(E)-2-methyl-3-(4-phenylmethoxycarbonylphenyl)prop-2-enoic acid
CID 10447264
ethyl 4-[(Z)-1-phenylhept-1-en-2-yl]benzoate
CID 23658634
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
chloroethane;ethyl benzoate
CID 91175503
benzyl benzoate;ethyl 3-oxobutanoate
CID 174984121
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
benzyl benzoate
CID 2345
CID 158970570
CID 158970570
ethyl 4-hydroxybenzoate;propylbenzene
CID 174891390

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate?
The IUPAC name of ethyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate (CID 67768490) is ethyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate.
What is the SMILES notation for ethyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate?
The canonical SMILES for ethyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate is CCOC(=O)c1ccc(C(=Cc2ccccc2)OCc2ccccc2)cc1.
What is the InChIKey of ethyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate?
The InChIKey is QLMSOGRPDHCPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O3/c1-2-26-24(25)22-15-13-21(14-16-22)23(17-19-9-5-3-6-10-19)27-18-20-11-7-4-8-12-20/h3-17H,2,18H2,1H3.
What are the key properties of ethyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate?
ethyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate has a molecular weight of 358.44 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate is sourced from PubChem (CID 67768490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).