methyl 2-[2-(4-phenylphenoxy)acetyl]oxybenzoate

C22H18O5 — CID 23011279

IUPACmethyl 2-[2-(4-phenylphenoxy)acetyl]oxybenzoate
SMILESCOC(=O)c1ccccc1OC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H18O5/c1-25-22(24)19-9-5-6-10-20(19)27-21(23)15-26-18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,15H2,1H3
InChIKeyHQENMAVIIOJOHP-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.12
Rot. Bonds6

About methyl 2-[2-(4-phenylphenoxy)acetyl]oxybenzoate

methyl 2-[2-(4-phenylphenoxy)acetyl]oxybenzoate (PubChem CID 23011279) has the molecular formula C22H18O5 and a molecular weight of 362.38 g/mol. Its IUPAC name is methyl 2-[2-(4-phenylphenoxy)acetyl]oxybenzoate.

Molecular Properties

Compound Namemethyl 2-[2-(4-phenylphenoxy)acetyl]oxybenzoate
PubChem CID23011279
Molecular FormulaC22H18O5
Molecular Weight362.38 g/mol
Exact Mass362.12
IUPAC Namemethyl 2-[2-(4-phenylphenoxy)acetyl]oxybenzoate
SMILESCOC(=O)c1ccccc1OC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H18O5/c1-25-22(24)19-9-5-6-10-20(19)27-21(23)15-26-18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,15H2,1H3
InChIKeyHQENMAVIIOJOHP-UHFFFAOYSA-N
XLogP4.12
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze methyl 2-[2-(4-phenylphenoxy)acetyl]oxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-ethoxyphenyl) 2-(4-phenylphenoxy)acetate
CID 19179210
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate
CID 1183013
(4-phenylphenyl) 2-(4-ethoxyphenoxy)acetate
CID 19177827
(2,3,4,5,6-pentafluorophenyl) 2-(4-phenylphenoxy)acetate
CID 87804804
propan-2-yl 2-(4-phenylphenoxy)acetate
CID 2791913
methyl 2-butanoyloxybenzoate
CID 836876
2-phenoxyethyl 2-[2-(2-methoxyphenoxy)acetyl]oxybenzoate
CID 17138554
4-(2-methoxycarbonylphenoxy)-2-methylidene-4-oxobutanoic acid
CID 91321141
(2-methoxyphenyl) 2-(4-bromophenoxy)acetate
CID 78777315
ethyl 2-[2-(2-bromo-4-phenylphenoxy)acetyl]oxybenzoate
CID 23012588
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxylate
CID 59781241
methyl 4-[2-(4-benzoylphenoxy)acetyl]oxybenzoate
CID 8001541

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-phenylphenoxy)acetyl]oxybenzoate?
The IUPAC name of methyl 2-[2-(4-phenylphenoxy)acetyl]oxybenzoate (CID 23011279) is methyl 2-[2-(4-phenylphenoxy)acetyl]oxybenzoate.
What is the SMILES notation for methyl 2-[2-(4-phenylphenoxy)acetyl]oxybenzoate?
The canonical SMILES for methyl 2-[2-(4-phenylphenoxy)acetyl]oxybenzoate is COC(=O)c1ccccc1OC(=O)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl 2-[2-(4-phenylphenoxy)acetyl]oxybenzoate?
The InChIKey is HQENMAVIIOJOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O5/c1-25-22(24)19-9-5-6-10-20(19)27-21(23)15-26-18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,15H2,1H3.
What are the key properties of methyl 2-[2-(4-phenylphenoxy)acetyl]oxybenzoate?
methyl 2-[2-(4-phenylphenoxy)acetyl]oxybenzoate has a molecular weight of 362.38 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-phenylphenoxy)acetyl]oxybenzoate is sourced from PubChem (CID 23011279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).