[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-fluorophenoxy)-2-methylpropanoate

C19H19F3O5 — CID 78805042

IUPAC[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-fluorophenoxy)-2-methylpropanoate
SMILESCOc1cc(COC(=O)C(C)(C)Oc2ccc(F)cc2)ccc1OC(F)F
InChIInChI=1S/C19H19F3O5/c1-19(2,27-14-7-5-13(20)6-8-14)17(23)25-11-12-4-9-15(26-18(21)22)16(10-12)24-3/h4-10,18H,11H2,1-3H3
InChIKeyZSUSEFBYWOZSAS-UHFFFAOYSA-N
MW384.35 g/mol
LogP4.34
Rot. Bonds8

About [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-fluorophenoxy)-2-methylpropanoate

[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-fluorophenoxy)-2-methylpropanoate (PubChem CID 78805042) has the molecular formula C19H19F3O5 and a molecular weight of 384.35 g/mol. Its IUPAC name is [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-fluorophenoxy)-2-methylpropanoate.

Molecular Properties

Compound Name[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-fluorophenoxy)-2-methylpropanoate
PubChem CID78805042
Molecular FormulaC19H19F3O5
Molecular Weight384.35 g/mol
Exact Mass384.12
IUPAC Name[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-fluorophenoxy)-2-methylpropanoate
SMILESCOc1cc(COC(=O)C(C)(C)Oc2ccc(F)cc2)ccc1OC(F)F
InChIInChI=1S/C19H19F3O5/c1-19(2,27-14-7-5-13(20)6-8-14)17(23)25-11-12-4-9-15(26-18(21)22)16(10-12)24-3/h4-10,18H,11H2,1-3H3
InChIKeyZSUSEFBYWOZSAS-UHFFFAOYSA-N
XLogP4.34
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(difluoromethoxy)-3-methoxyphenyl]methyl butanoate
CID 78805538
4-O-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 42115193
(6-chloro-3-pyridinyl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate
CID 78846147
3-[2-(4-fluorophenoxy)-2-methylpropanoyl]oxypropyl 2-(4-fluorophenoxy)-2-methylpropanoate
CID 70876323
(3,4-dimethoxyphenyl)methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 9096969
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 30760216
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 8898861
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate
CID 86826541
(4-methylsulfanylphenyl)methyl 4-(difluoromethoxy)-3-methoxybenzoate
CID 4858469
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]phenyl]acetamide
CID 9017937
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17480128
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 8969526

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-fluorophenoxy)-2-methylpropanoate?
The IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-fluorophenoxy)-2-methylpropanoate (CID 78805042) is [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-fluorophenoxy)-2-methylpropanoate.
What is the SMILES notation for [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-fluorophenoxy)-2-methylpropanoate?
The canonical SMILES for [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-fluorophenoxy)-2-methylpropanoate is COc1cc(COC(=O)C(C)(C)Oc2ccc(F)cc2)ccc1OC(F)F.
What is the InChIKey of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-fluorophenoxy)-2-methylpropanoate?
The InChIKey is ZSUSEFBYWOZSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3O5/c1-19(2,27-14-7-5-13(20)6-8-14)17(23)25-11-12-4-9-15(26-18(21)22)16(10-12)24-3/h4-10,18H,11H2,1-3H3.
What are the key properties of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-fluorophenoxy)-2-methylpropanoate?
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-fluorophenoxy)-2-methylpropanoate has a molecular weight of 384.35 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-fluorophenoxy)-2-methylpropanoate is sourced from PubChem (CID 78805042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).