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

C23H20O3 — CID 67768380

IUPACmethyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate
SMILESCOC(=O)c1ccc(C(=Cc2ccccc2)OCc2ccccc2)cc1
InChIInChI=1S/C23H20O3/c1-25-23(24)21-14-12-20(13-15-21)22(16-18-8-4-2-5-9-18)26-17-19-10-6-3-7-11-19/h2-16H,17H2,1H3
InChIKeyJIZMCSGYWHGTFJ-UHFFFAOYSA-N
MW344.41 g/mol
LogP5.19
Rot. Bonds6

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

methyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate (PubChem CID 67768380) has the molecular formula C23H20O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is methyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate
PubChem CID67768380
Molecular FormulaC23H20O3
Molecular Weight344.41 g/mol
Exact Mass344.14
IUPAC Namemethyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate
SMILESCOC(=O)c1ccc(C(=Cc2ccccc2)OCc2ccccc2)cc1
InChIInChI=1S/C23H20O3/c1-25-23(24)21-14-12-20(13-15-21)22(16-18-8-4-2-5-9-18)26-17-19-10-6-3-7-11-19/h2-16H,17H2,1H3
InChIKeyJIZMCSGYWHGTFJ-UHFFFAOYSA-N
XLogP5.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.19
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

ethyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate
CID 67768490
[(Z)-1,2-diphenylethenoxy]methylbenzene
CID 134952285
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
methyl 4-[1-(phenylmethoxycarbonylamino)ethyl]benzoate
CID 139526355
3-O-benzyl 1-O-methyl (2Z)-2-benzylidenepropanedioate
CID 14168531
benzyl propanoate;methyl benzoate
CID 70307580
(E)-2-methyl-3-(4-phenylmethoxycarbonylphenyl)prop-2-enoic acid
CID 10447264
methyl 4-(2-chloro-3-oxo-3-phenylmethoxypropanoyl)benzoate
CID 86760570
methyl 4-[phenylmethoxy(phenylmethoxycarbonyl)amino]benzoate
CID 166448168
methyl 4-[10-(4-phenylmethoxycarbonylphenoxy)decoxy]benzoate
CID 149220381
methyl 4-[[(Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoyl]oxymethyl]benzoate
CID 6533691
benzaldehyde;methyl 4-hydroxybenzoate
CID 174817646

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate?
The IUPAC name of methyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate (CID 67768380) is methyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate.
What is the SMILES notation for methyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate?
The canonical SMILES for methyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate is COC(=O)c1ccc(C(=Cc2ccccc2)OCc2ccccc2)cc1.
What is the InChIKey of methyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate?
The InChIKey is JIZMCSGYWHGTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O3/c1-25-23(24)21-14-12-20(13-15-21)22(16-18-8-4-2-5-9-18)26-17-19-10-6-3-7-11-19/h2-16H,17H2,1H3.
What are the key properties of methyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate?
methyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate has a molecular weight of 344.41 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate is sourced from PubChem (CID 67768380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).