methyl 5-[[4-(difluoromethoxy)-3-methoxybenzoyl]oxymethyl]furan-2-carboxylate

C16H14F2O7 — CID 2606973

IUPACmethyl 5-[[4-(difluoromethoxy)-3-methoxybenzoyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2ccc(OC(F)F)c(OC)c2)o1
InChIInChI=1S/C16H14F2O7/c1-21-13-7-9(3-5-11(13)25-16(17)18)14(19)23-8-10-4-6-12(24-10)15(20)22-2/h3-7,16H,8H2,1-2H3
InChIKeyPJTWYJKQDXTRTD-UHFFFAOYSA-N
MW356.28 g/mol
LogP3.03
Rot. Bonds7

About methyl 5-[[4-(difluoromethoxy)-3-methoxybenzoyl]oxymethyl]furan-2-carboxylate

methyl 5-[[4-(difluoromethoxy)-3-methoxybenzoyl]oxymethyl]furan-2-carboxylate (PubChem CID 2606973) has the molecular formula C16H14F2O7 and a molecular weight of 356.28 g/mol. Its IUPAC name is methyl 5-[[4-(difluoromethoxy)-3-methoxybenzoyl]oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-(difluoromethoxy)-3-methoxybenzoyl]oxymethyl]furan-2-carboxylate
PubChem CID2606973
Molecular FormulaC16H14F2O7
Molecular Weight356.28 g/mol
Exact Mass356.07
IUPAC Namemethyl 5-[[4-(difluoromethoxy)-3-methoxybenzoyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2ccc(OC(F)F)c(OC)c2)o1
InChIInChI=1S/C16H14F2O7/c1-21-13-7-9(3-5-11(13)25-16(17)18)14(19)23-8-10-4-6-12(24-10)15(20)22-2/h3-7,16H,8H2,1-2H3
InChIKeyPJTWYJKQDXTRTD-UHFFFAOYSA-N
XLogP3.03
TPSA84.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.28
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[4-(difluoromethoxy)-3-methoxybenzoyl]oxymethyl]furan-2-carboxylate 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

4-O-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 42115193
methyl 5-[[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxymethyl]furan-2-carboxylate
CID 7665331
(4-methylsulfanylphenyl)methyl 4-(difluoromethoxy)-3-methoxybenzoate
CID 4858469
methyl 5-[(3,5-dimethoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2516450
methyl 5-[(3-methoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2110550
methyl 4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxybenzoate
CID 60558779
methyl 5-[(2-methoxy-4-methylphenoxy)methyl]furan-2-carboxylate
CID 4193916
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 46818176
methyl 4-amino-3-(difluoromethoxy)benzoate
CID 43380209
methyl 5-[(2,3,4-trimethoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2522067
methyl 5-[(3,5-dichloro-4-methoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 9125878
methyl 5-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 7726518

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-(difluoromethoxy)-3-methoxybenzoyl]oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[4-(difluoromethoxy)-3-methoxybenzoyl]oxymethyl]furan-2-carboxylate (CID 2606973) is methyl 5-[[4-(difluoromethoxy)-3-methoxybenzoyl]oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[4-(difluoromethoxy)-3-methoxybenzoyl]oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[4-(difluoromethoxy)-3-methoxybenzoyl]oxymethyl]furan-2-carboxylate is COC(=O)c1ccc(COC(=O)c2ccc(OC(F)F)c(OC)c2)o1.
What is the InChIKey of methyl 5-[[4-(difluoromethoxy)-3-methoxybenzoyl]oxymethyl]furan-2-carboxylate?
The InChIKey is PJTWYJKQDXTRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O7/c1-21-13-7-9(3-5-11(13)25-16(17)18)14(19)23-8-10-4-6-12(24-10)15(20)22-2/h3-7,16H,8H2,1-2H3.
What are the key properties of methyl 5-[[4-(difluoromethoxy)-3-methoxybenzoyl]oxymethyl]furan-2-carboxylate?
methyl 5-[[4-(difluoromethoxy)-3-methoxybenzoyl]oxymethyl]furan-2-carboxylate has a molecular weight of 356.28 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-(difluoromethoxy)-3-methoxybenzoyl]oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 2606973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).