methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate

C24H22O6 — CID 14323673

IUPACmethyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
SMILESCOC(=O)c1ccccc1OCc1ccc(COc2ccccc2C(=O)OC)cc1
InChIInChI=1S/C24H22O6/c1-27-23(25)19-7-3-5-9-21(19)29-15-17-11-13-18(14-12-17)16-30-22-10-6-4-8-20(22)24(26)28-2/h3-14H,15-16H2,1-2H3
InChIKeyPVOFWKCSYMMMRF-UHFFFAOYSA-N
MW406.43 g/mol
LogP4.42
Rot. Bonds8

About methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate

methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate (PubChem CID 14323673) has the molecular formula C24H22O6 and a molecular weight of 406.43 g/mol. Its IUPAC name is methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
PubChem CID14323673
Molecular FormulaC24H22O6
Molecular Weight406.43 g/mol
Exact Mass406.14
IUPAC Namemethyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
SMILESCOC(=O)c1ccccc1OCc1ccc(COc2ccccc2C(=O)OC)cc1
InChIInChI=1S/C24H22O6/c1-27-23(25)19-7-3-5-9-21(19)29-15-17-11-13-18(14-12-17)16-30-22-10-6-4-8-20(22)24(26)28-2/h3-14H,15-16H2,1-2H3
InChIKeyPVOFWKCSYMMMRF-UHFFFAOYSA-N
XLogP4.42
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate 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

methyl 2-[(4-methoxycarbonylphenyl)methoxy]benzoate
CID 7894205
methyl 2-[[4-[(2-acetylphenoxy)methyl]phenyl]methoxy]benzoate
CID 59575964
methyl 4-[(2-acetylphenoxy)methyl]benzoate
CID 9172369
2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid
CID 70197769
ethyl 2-[(4-methylphenyl)methoxy]benzoate
CID 82186194
methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
CID 15209322
dimethyl (E)-2,3-bis(2-phenylmethoxyphenyl)but-2-enedioate
CID 135020990
methyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate
CID 7981645
methyl 2-(2-aminoethoxy)benzoate
CID 14273287
methyl 2-[2-[(4-carbamimidoylphenyl)methoxy]phenyl]benzoate
CID 22626508
methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
CID 102383086
N-[4-[(2-acetylphenoxy)methyl]phenyl]acetamide
CID 129038120

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate?
The IUPAC name of methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate (CID 14323673) is methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate.
What is the SMILES notation for methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate?
The canonical SMILES for methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate is COC(=O)c1ccccc1OCc1ccc(COc2ccccc2C(=O)OC)cc1.
What is the InChIKey of methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate?
The InChIKey is PVOFWKCSYMMMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O6/c1-27-23(25)19-7-3-5-9-21(19)29-15-17-11-13-18(14-12-17)16-30-22-10-6-4-8-20(22)24(26)28-2/h3-14H,15-16H2,1-2H3.
What are the key properties of methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate?
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate has a molecular weight of 406.43 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate is sourced from PubChem (CID 14323673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).