methyl 4-(4-phenylmethoxybenzoyl)benzoate

C22H18O4 — CID 11681743

IUPACmethyl 4-(4-phenylmethoxybenzoyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C22H18O4/c1-25-22(24)19-9-7-17(8-10-19)21(23)18-11-13-20(14-12-18)26-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3
InChIKeyVHZVWRZJIVBODR-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.28
Rot. Bonds6

About methyl 4-(4-phenylmethoxybenzoyl)benzoate

methyl 4-(4-phenylmethoxybenzoyl)benzoate (PubChem CID 11681743) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is methyl 4-(4-phenylmethoxybenzoyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(4-phenylmethoxybenzoyl)benzoate
PubChem CID11681743
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Namemethyl 4-(4-phenylmethoxybenzoyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C22H18O4/c1-25-22(24)19-9-7-17(8-10-19)21(23)18-11-13-20(14-12-18)26-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3
InChIKeyVHZVWRZJIVBODR-UHFFFAOYSA-N
XLogP4.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate
CID 7950516
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 23631878
(4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone
CID 58133171
[4-(phenoxymethyl)phenyl]-phenylmethanone
CID 1262878
methyl 4-[10-(4-phenylmethoxycarbonylphenoxy)decoxy]benzoate
CID 149220381
methyl 3,5-bis[3-(4-phenylmethoxyphenoxy)propoxy]benzoate
CID 54529309
methyl 4-[[4-[(2-phenylhydrazinyl)methyl]phenoxy]methyl]benzoate
CID 169385691

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-phenylmethoxybenzoyl)benzoate?
The IUPAC name of methyl 4-(4-phenylmethoxybenzoyl)benzoate (CID 11681743) is methyl 4-(4-phenylmethoxybenzoyl)benzoate.
What is the SMILES notation for methyl 4-(4-phenylmethoxybenzoyl)benzoate?
The canonical SMILES for methyl 4-(4-phenylmethoxybenzoyl)benzoate is COC(=O)c1ccc(C(=O)c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of methyl 4-(4-phenylmethoxybenzoyl)benzoate?
The InChIKey is VHZVWRZJIVBODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O4/c1-25-22(24)19-9-7-17(8-10-19)21(23)18-11-13-20(14-12-18)26-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3.
What are the key properties of methyl 4-(4-phenylmethoxybenzoyl)benzoate?
methyl 4-(4-phenylmethoxybenzoyl)benzoate has a molecular weight of 346.38 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-phenylmethoxybenzoyl)benzoate is sourced from PubChem (CID 11681743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).