4-O-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl] 1-O-methyl benzene-1,4-dicarboxylate

C18H16F2O6 — CID 42115193

IUPAC4-O-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OCc2ccc(OC(F)F)c(OC)c2)cc1
InChIInChI=1S/C18H16F2O6/c1-23-15-9-11(3-8-14(15)26-18(19)20)10-25-17(22)13-6-4-12(5-7-13)16(21)24-2/h3-9,18H,10H2,1-2H3
InChIKeyITEMLUISIGYGMK-UHFFFAOYSA-N
MW366.32 g/mol
LogP3.44
Rot. Bonds7

About 4-O-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl] 1-O-methyl benzene-1,4-dicarboxylate

4-O-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl] 1-O-methyl benzene-1,4-dicarboxylate (PubChem CID 42115193) has the molecular formula C18H16F2O6 and a molecular weight of 366.32 g/mol. Its IUPAC name is 4-O-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl] 1-O-methyl benzene-1,4-dicarboxylate.

Molecular Properties

Compound Name4-O-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
PubChem CID42115193
Molecular FormulaC18H16F2O6
Molecular Weight366.32 g/mol
Exact Mass366.09
IUPAC Name4-O-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OCc2ccc(OC(F)F)c(OC)c2)cc1
InChIInChI=1S/C18H16F2O6/c1-23-15-9-11(3-8-14(15)26-18(19)20)10-25-17(22)13-6-4-12(5-7-13)16(21)24-2/h3-9,18H,10H2,1-2H3
InChIKeyITEMLUISIGYGMK-UHFFFAOYSA-N
XLogP3.44
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-O-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl] 1-O-methyl benzene-1,4-dicarboxylate 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 5-[[4-(difluoromethoxy)-3-methoxybenzoyl]oxymethyl]furan-2-carboxylate
CID 2606973
(4-methylsulfanylphenyl)methyl 4-(difluoromethoxy)-3-methoxybenzoate
CID 4858469
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 46818176
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate
CID 55702146
[4-(difluoromethoxy)-3-methoxyphenyl]methyl butanoate
CID 78805538
(3,4-dimethoxyphenyl)methyl 4-(difluoromethylsulfonyl)benzoate
CID 9096959
methyl 4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxybenzoate
CID 60558779
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-acetamido-3-methylbenzoate
CID 24602070
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 30760216
(4-methoxycarbonylphenyl)methyl 2,4,5-trimethoxybenzoate
CID 2488136
methyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate
CID 15186062
[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl 4-ethylbenzoate
CID 46810301

Frequently Asked Questions

What is the IUPAC name of 4-O-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl] 1-O-methyl benzene-1,4-dicarboxylate?
The IUPAC name of 4-O-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl] 1-O-methyl benzene-1,4-dicarboxylate (CID 42115193) is 4-O-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl] 1-O-methyl benzene-1,4-dicarboxylate.
What is the SMILES notation for 4-O-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl] 1-O-methyl benzene-1,4-dicarboxylate?
The canonical SMILES for 4-O-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl] 1-O-methyl benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OCc2ccc(OC(F)F)c(OC)c2)cc1.
What is the InChIKey of 4-O-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl] 1-O-methyl benzene-1,4-dicarboxylate?
The InChIKey is ITEMLUISIGYGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2O6/c1-23-15-9-11(3-8-14(15)26-18(19)20)10-25-17(22)13-6-4-12(5-7-13)16(21)24-2/h3-9,18H,10H2,1-2H3.
What are the key properties of 4-O-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl] 1-O-methyl benzene-1,4-dicarboxylate?
4-O-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl] 1-O-methyl benzene-1,4-dicarboxylate has a molecular weight of 366.32 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl] 1-O-methyl benzene-1,4-dicarboxylate is sourced from PubChem (CID 42115193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).