methyl 2-methoxy-5-phenoxybenzoate

C15H14O4 — CID 82552164

IUPACmethyl 2-methoxy-5-phenoxybenzoate
SMILESCOC(=O)c1cc(Oc2ccccc2)ccc1OC
InChIInChI=1S/C15H14O4/c1-17-14-9-8-12(10-13(14)15(16)18-2)19-11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyZTHMHBMKCFYOAV-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.27
Rot. Bonds4

About methyl 2-methoxy-5-phenoxybenzoate

methyl 2-methoxy-5-phenoxybenzoate (PubChem CID 82552164) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is methyl 2-methoxy-5-phenoxybenzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-phenoxybenzoate
PubChem CID82552164
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Namemethyl 2-methoxy-5-phenoxybenzoate
SMILESCOC(=O)c1cc(Oc2ccccc2)ccc1OC
InChIInChI=1S/C15H14O4/c1-17-14-9-8-12(10-13(14)15(16)18-2)19-11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyZTHMHBMKCFYOAV-UHFFFAOYSA-N
XLogP3.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-methoxy-5-phenoxybenzoate 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-methoxycarbonyl-4-phenoxybenzoic acid
CID 142601044
methyl 2-methoxy-5-[(E)-2-phenylethenyl]benzoate
CID 155479645
methyl 5-amino-2-phenoxybenzoate
CID 23019285
methyl 2-ethyl-4-phenoxybenzoate
CID 154641333
5-(4-carboxyphenoxy)-2-methoxybenzoic acid
CID 162997010
methyl 2-ethenyl-4-phenoxybenzoate
CID 154641334
methyl 2-amino-5-(2-methoxyphenoxy)benzoate
CID 61306841
methyl 2-[2-methoxycarbonyl-4-[(4-methoxyphenyl)methyl]phenoxy]-5-[(4-methoxyphenyl)methyl]benzoate;methyl 2-methoxy-5-[[4-[4-[(4-methoxy-3-methoxycarbonylphenyl)methyl]phenoxy]phenyl]methyl]benzoate
CID 160887785
methyl 2-methoxy-5-(N-phenylanilino)benzoate
CID 90352051
methyl 4-phenoxy-2-(propan-2-ylamino)benzoate
CID 72725192
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
methyl 2-amino-5-(3-methoxyphenoxy)benzoate
CID 61313873

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-phenoxybenzoate?
The IUPAC name of methyl 2-methoxy-5-phenoxybenzoate (CID 82552164) is methyl 2-methoxy-5-phenoxybenzoate.
What is the SMILES notation for methyl 2-methoxy-5-phenoxybenzoate?
The canonical SMILES for methyl 2-methoxy-5-phenoxybenzoate is COC(=O)c1cc(Oc2ccccc2)ccc1OC.
What is the InChIKey of methyl 2-methoxy-5-phenoxybenzoate?
The InChIKey is ZTHMHBMKCFYOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-17-14-9-8-12(10-13(14)15(16)18-2)19-11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of methyl 2-methoxy-5-phenoxybenzoate?
methyl 2-methoxy-5-phenoxybenzoate has a molecular weight of 258.27 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-phenoxybenzoate is sourced from PubChem (CID 82552164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).