(2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenoxy)acetate

C16H14ClFO4 — CID 2358458

IUPAC(2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C16H14ClFO4/c1-20-11-5-7-12(8-6-11)21-10-16(19)22-9-13-14(17)3-2-4-15(13)18/h2-8H,9-10H2,1H3
InChIKeyXHZVGTIBKLBBBI-UHFFFAOYSA-N
MW324.74 g/mol
LogP3.61
Rot. Bonds6

About (2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenoxy)acetate

(2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenoxy)acetate (PubChem CID 2358458) has the molecular formula C16H14ClFO4 and a molecular weight of 324.74 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenoxy)acetate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenoxy)acetate
PubChem CID2358458
Molecular FormulaC16H14ClFO4
Molecular Weight324.74 g/mol
Exact Mass324.06
IUPAC Name(2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C16H14ClFO4/c1-20-11-5-7-12(8-6-11)21-10-16(19)22-9-13-14(17)3-2-4-15(13)18/h2-8H,9-10H2,1H3
InChIKeyXHZVGTIBKLBBBI-UHFFFAOYSA-N
XLogP3.61
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.74
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenoxy)acetate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenoxy)acetate (CID 2358458) is (2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenoxy)acetate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenoxy)acetate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenoxy)acetate is COc1ccc(OCC(=O)OCc2c(F)cccc2Cl)cc1.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenoxy)acetate?
The InChIKey is XHZVGTIBKLBBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO4/c1-20-11-5-7-12(8-6-11)21-10-16(19)22-9-13-14(17)3-2-4-15(13)18/h2-8H,9-10H2,1H3.
What are the key properties of (2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenoxy)acetate?
(2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenoxy)acetate has a molecular weight of 324.74 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenoxy)acetate is sourced from PubChem (CID 2358458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).