methyl 2,6-difluoro-3-methoxy-4,5-bis(phenylmethoxy)benzoate

C23H20F2O5 — CID 166479578

IUPACmethyl 2,6-difluoro-3-methoxy-4,5-bis(phenylmethoxy)benzoate
SMILESCOC(=O)c1c(F)c(OC)c(OCc2ccccc2)c(OCc2ccccc2)c1F
InChIInChI=1S/C23H20F2O5/c1-27-20-18(24)17(23(26)28-2)19(25)21(29-13-15-9-5-3-6-10-15)22(20)30-14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyGOEAFPYTARGGBH-UHFFFAOYSA-N
MW414.40 g/mol
LogP4.92
Rot. Bonds8

About methyl 2,6-difluoro-3-methoxy-4,5-bis(phenylmethoxy)benzoate

methyl 2,6-difluoro-3-methoxy-4,5-bis(phenylmethoxy)benzoate (PubChem CID 166479578) has the molecular formula C23H20F2O5 and a molecular weight of 414.40 g/mol. Its IUPAC name is methyl 2,6-difluoro-3-methoxy-4,5-bis(phenylmethoxy)benzoate.

Molecular Properties

Compound Namemethyl 2,6-difluoro-3-methoxy-4,5-bis(phenylmethoxy)benzoate
PubChem CID166479578
Molecular FormulaC23H20F2O5
Molecular Weight414.40 g/mol
Exact Mass414.13
IUPAC Namemethyl 2,6-difluoro-3-methoxy-4,5-bis(phenylmethoxy)benzoate
SMILESCOC(=O)c1c(F)c(OC)c(OCc2ccccc2)c(OCc2ccccc2)c1F
InChIInChI=1S/C23H20F2O5/c1-27-20-18(24)17(23(26)28-2)19(25)21(29-13-15-9-5-3-6-10-15)22(20)30-14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyGOEAFPYTARGGBH-UHFFFAOYSA-N
XLogP4.92
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.40
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-difluoro-3,4-bis(phenylmethoxy)-5-propan-2-yloxybenzoic acid
CID 166479784
methyl 6-acetyl-2-methoxy-3-phenylmethoxybenzoate
CID 91864043
dimethyl 8-hydroxy-3,4-dimethoxy-2-phenylmethoxynaphthalene-1,7-dicarboxylate
CID 67945020
methyl 5-chloro-3-fluoro-2-phenylmethoxybenzoate
CID 164895372
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
methyl 2-bromo-4,5-dimethoxy-3-phenylmethoxybenzoate
CID 164681646
methyl 2-amino-6-bromo-5-methyl-3-phenylmethoxypyridine-4-carboxylate
CID 91008132
4-methoxycarbonyl-2-methyl-3-phenylmethoxybenzoic acid
CID 90164151
methyl 3-iodo-5-methoxy-4-phenylmethoxybenzoate
CID 91689901
methyl 5-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate
CID 66927086
3-methoxy-1-phenylmethoxynaphthalene-2-carboxylic acid
CID 54035812
methyl 3-(2-oxopropyl)-2-phenylmethoxybenzoate
CID 13255232

Frequently Asked Questions

What is the IUPAC name of methyl 2,6-difluoro-3-methoxy-4,5-bis(phenylmethoxy)benzoate?
The IUPAC name of methyl 2,6-difluoro-3-methoxy-4,5-bis(phenylmethoxy)benzoate (CID 166479578) is methyl 2,6-difluoro-3-methoxy-4,5-bis(phenylmethoxy)benzoate.
What is the SMILES notation for methyl 2,6-difluoro-3-methoxy-4,5-bis(phenylmethoxy)benzoate?
The canonical SMILES for methyl 2,6-difluoro-3-methoxy-4,5-bis(phenylmethoxy)benzoate is COC(=O)c1c(F)c(OC)c(OCc2ccccc2)c(OCc2ccccc2)c1F.
What is the InChIKey of methyl 2,6-difluoro-3-methoxy-4,5-bis(phenylmethoxy)benzoate?
The InChIKey is GOEAFPYTARGGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2O5/c1-27-20-18(24)17(23(26)28-2)19(25)21(29-13-15-9-5-3-6-10-15)22(20)30-14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3.
What are the key properties of methyl 2,6-difluoro-3-methoxy-4,5-bis(phenylmethoxy)benzoate?
methyl 2,6-difluoro-3-methoxy-4,5-bis(phenylmethoxy)benzoate has a molecular weight of 414.40 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-difluoro-3-methoxy-4,5-bis(phenylmethoxy)benzoate is sourced from PubChem (CID 166479578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).