methyl 3-[2-(4-phenylmethoxyphenyl)ethyl]benzoate

C23H22O3 — CID 175245532

IUPACmethyl 3-[2-(4-phenylmethoxyphenyl)ethyl]benzoate
SMILESCOC(=O)c1cccc(CCc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C23H22O3/c1-25-23(24)21-9-5-8-19(16-21)11-10-18-12-14-22(15-13-18)26-17-20-6-3-2-4-7-20/h2-9,12-16H,10-11,17H2,1H3
InChIKeyKNDQNCUORDHKQE-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.84
Rot. Bonds7

About methyl 3-[2-(4-phenylmethoxyphenyl)ethyl]benzoate

methyl 3-[2-(4-phenylmethoxyphenyl)ethyl]benzoate (PubChem CID 175245532) has the molecular formula C23H22O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is methyl 3-[2-(4-phenylmethoxyphenyl)ethyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-(4-phenylmethoxyphenyl)ethyl]benzoate
PubChem CID175245532
Molecular FormulaC23H22O3
Molecular Weight346.43 g/mol
Exact Mass346.16
IUPAC Namemethyl 3-[2-(4-phenylmethoxyphenyl)ethyl]benzoate
SMILESCOC(=O)c1cccc(CCc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C23H22O3/c1-25-23(24)21-9-5-8-19(16-21)11-10-18-12-14-22(15-13-18)26-17-20-6-3-2-4-7-20/h2-9,12-16H,10-11,17H2,1H3
InChIKeyKNDQNCUORDHKQE-UHFFFAOYSA-N
XLogP4.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
phenyl 3-[(4-propylphenoxy)methyl]benzoate
CID 10736361
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
methyl 3-(phenylmethoxymethoxy)benzoate
CID 175253615
methyl 3,5-bis[3-(4-phenylmethoxyphenoxy)propoxy]benzoate
CID 54529309
methyl 3-[2-(methylamino)ethyl]benzoate
CID 59419935
methyl 3-(hydroxymethyl)-5-phenylmethoxybenzoate
CID 24813623
methyl 3-[2-(phenylmethoxycarbonylamino)ethyl]benzoate
CID 175662966
methyl 3-propylbenzoate
CID 12861009
3-[(4-ethylphenoxy)methyl]benzoic acid
CID 891200
methyl 3-(3-phenylpropanoyloxymethyl)benzoate
CID 78759984

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(4-phenylmethoxyphenyl)ethyl]benzoate?
The IUPAC name of methyl 3-[2-(4-phenylmethoxyphenyl)ethyl]benzoate (CID 175245532) is methyl 3-[2-(4-phenylmethoxyphenyl)ethyl]benzoate.
What is the SMILES notation for methyl 3-[2-(4-phenylmethoxyphenyl)ethyl]benzoate?
The canonical SMILES for methyl 3-[2-(4-phenylmethoxyphenyl)ethyl]benzoate is COC(=O)c1cccc(CCc2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of methyl 3-[2-(4-phenylmethoxyphenyl)ethyl]benzoate?
The InChIKey is KNDQNCUORDHKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O3/c1-25-23(24)21-9-5-8-19(16-21)11-10-18-12-14-22(15-13-18)26-17-20-6-3-2-4-7-20/h2-9,12-16H,10-11,17H2,1H3.
What are the key properties of methyl 3-[2-(4-phenylmethoxyphenyl)ethyl]benzoate?
methyl 3-[2-(4-phenylmethoxyphenyl)ethyl]benzoate has a molecular weight of 346.43 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(4-phenylmethoxyphenyl)ethyl]benzoate is sourced from PubChem (CID 175245532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).