ethyl 4-(4-phenylmethoxybenzoyl)benzoate

C23H20O4 — CID 58095622

IUPACethyl 4-(4-phenylmethoxybenzoyl)benzoate
SMILESCCOC(=O)c1ccc(C(=O)c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H20O4/c1-2-26-23(25)20-10-8-18(9-11-20)22(24)19-12-14-21(15-13-19)27-16-17-6-4-3-5-7-17/h3-15H,2,16H2,1H3
InChIKeyCRVBCEZXBKSOBI-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.67
Rot. Bonds7

About ethyl 4-(4-phenylmethoxybenzoyl)benzoate

ethyl 4-(4-phenylmethoxybenzoyl)benzoate (PubChem CID 58095622) has the molecular formula C23H20O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is ethyl 4-(4-phenylmethoxybenzoyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(4-phenylmethoxybenzoyl)benzoate
PubChem CID58095622
Molecular FormulaC23H20O4
Molecular Weight360.41 g/mol
Exact Mass360.14
IUPAC Nameethyl 4-(4-phenylmethoxybenzoyl)benzoate
SMILESCCOC(=O)c1ccc(C(=O)c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H20O4/c1-2-26-23(25)20-10-8-18(9-11-20)22(24)19-12-14-21(15-13-19)27-16-17-6-4-3-5-7-17/h3-15H,2,16H2,1H3
InChIKeyCRVBCEZXBKSOBI-UHFFFAOYSA-N
XLogP4.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
ethyl 4-[(4-aminophenoxy)methyl]benzoate
CID 39109130
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
[2-(diethylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 55307289
(4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone
CID 58133171
2-methylpropyl 4-phenylmethoxybenzoate
CID 19702441
(2-amino-2-oxoethyl) 4-phenylmethoxybenzoate
CID 2607609
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-(4-butoxybenzoyl)benzoate
CID 70804443
ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate
CID 59266192

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-phenylmethoxybenzoyl)benzoate?
The IUPAC name of ethyl 4-(4-phenylmethoxybenzoyl)benzoate (CID 58095622) is ethyl 4-(4-phenylmethoxybenzoyl)benzoate.
What is the SMILES notation for ethyl 4-(4-phenylmethoxybenzoyl)benzoate?
The canonical SMILES for ethyl 4-(4-phenylmethoxybenzoyl)benzoate is CCOC(=O)c1ccc(C(=O)c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of ethyl 4-(4-phenylmethoxybenzoyl)benzoate?
The InChIKey is CRVBCEZXBKSOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O4/c1-2-26-23(25)20-10-8-18(9-11-20)22(24)19-12-14-21(15-13-19)27-16-17-6-4-3-5-7-17/h3-15H,2,16H2,1H3.
What are the key properties of ethyl 4-(4-phenylmethoxybenzoyl)benzoate?
ethyl 4-(4-phenylmethoxybenzoyl)benzoate has a molecular weight of 360.41 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-phenylmethoxybenzoyl)benzoate is sourced from PubChem (CID 58095622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).