methyl 4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxybenzoate

C17H16F2O5 — CID 60558779

IUPACmethyl 4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxybenzoate
SMILESCOC(=O)c1ccc(OCc2ccc(OC(F)F)cc2)c(OC)c1
InChIInChI=1S/C17H16F2O5/c1-21-15-9-12(16(20)22-2)5-8-14(15)23-10-11-3-6-13(7-4-11)24-17(18)19/h3-9,17H,10H2,1-2H3
InChIKeyRMQFJZWDZYARLQ-UHFFFAOYSA-N
MW338.31 g/mol
LogP3.66
Rot. Bonds7

About methyl 4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxybenzoate

methyl 4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxybenzoate (PubChem CID 60558779) has the molecular formula C17H16F2O5 and a molecular weight of 338.31 g/mol. Its IUPAC name is methyl 4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxybenzoate
PubChem CID60558779
Molecular FormulaC17H16F2O5
Molecular Weight338.31 g/mol
Exact Mass338.10
IUPAC Namemethyl 4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxybenzoate
SMILESCOC(=O)c1ccc(OCc2ccc(OC(F)F)cc2)c(OC)c1
InChIInChI=1S/C17H16F2O5/c1-21-15-9-12(16(20)22-2)5-8-14(15)23-10-11-3-6-13(7-4-11)24-17(18)19/h3-9,17H,10H2,1-2H3
InChIKeyRMQFJZWDZYARLQ-UHFFFAOYSA-N
XLogP3.66
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate
CID 16785387
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
methyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate
CID 15186062
4-O-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 42115193
methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate
CID 171484206
[(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate
CID 7811254
methyl 4-amino-3-[(4-methoxyphenyl)methoxy]benzoate
CID 43380178
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 2612428
N'-[4-(difluoromethoxy)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 26655758
methyl 5-[[4-(difluoromethoxy)-3-methoxybenzoyl]oxymethyl]furan-2-carboxylate
CID 2606973
(2-methoxy-4-methylphenyl) 4-(difluoromethoxy)benzoate
CID 78780409
N'-[1-[4-(difluoromethoxy)phenyl]ethenyl]-3,4-dimethoxybenzohydrazide
CID 2435971

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxybenzoate?
The IUPAC name of methyl 4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxybenzoate (CID 60558779) is methyl 4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxybenzoate.
What is the SMILES notation for methyl 4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxybenzoate?
The canonical SMILES for methyl 4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxybenzoate is COC(=O)c1ccc(OCc2ccc(OC(F)F)cc2)c(OC)c1.
What is the InChIKey of methyl 4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxybenzoate?
The InChIKey is RMQFJZWDZYARLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O5/c1-21-15-9-12(16(20)22-2)5-8-14(15)23-10-11-3-6-13(7-4-11)24-17(18)19/h3-9,17H,10H2,1-2H3.
What are the key properties of methyl 4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxybenzoate?
methyl 4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxybenzoate has a molecular weight of 338.31 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxybenzoate is sourced from PubChem (CID 60558779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).