methyl 2-[2-[(3,5-dichlorophenoxy)methyl]phenyl]-2-methoxyacetate

C17H16Cl2O4 — CID 101177991

IUPACmethyl 2-[2-[(3,5-dichlorophenoxy)methyl]phenyl]-2-methoxyacetate
SMILESCOC(=O)C(OC)c1ccccc1COc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H16Cl2O4/c1-21-16(17(20)22-2)15-6-4-3-5-11(15)10-23-14-8-12(18)7-13(19)9-14/h3-9,16H,10H2,1-2H3
InChIKeySRMXOIBOUYOXNC-UHFFFAOYSA-N
MW355.22 g/mol
LogP4.43
Rot. Bonds6

About methyl 2-[2-[(3,5-dichlorophenoxy)methyl]phenyl]-2-methoxyacetate

methyl 2-[2-[(3,5-dichlorophenoxy)methyl]phenyl]-2-methoxyacetate (PubChem CID 101177991) has the molecular formula C17H16Cl2O4 and a molecular weight of 355.22 g/mol. Its IUPAC name is methyl 2-[2-[(3,5-dichlorophenoxy)methyl]phenyl]-2-methoxyacetate.

Molecular Properties

Compound Namemethyl 2-[2-[(3,5-dichlorophenoxy)methyl]phenyl]-2-methoxyacetate
PubChem CID101177991
Molecular FormulaC17H16Cl2O4
Molecular Weight355.22 g/mol
Exact Mass354.04
IUPAC Namemethyl 2-[2-[(3,5-dichlorophenoxy)methyl]phenyl]-2-methoxyacetate
SMILESCOC(=O)C(OC)c1ccccc1COc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H16Cl2O4/c1-21-16(17(20)22-2)15-6-4-3-5-11(15)10-23-14-8-12(18)7-13(19)9-14/h3-9,16H,10H2,1-2H3
InChIKeySRMXOIBOUYOXNC-UHFFFAOYSA-N
XLogP4.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(3,5-dichlorophenoxy)methyl]phenyl]-2-methoxyacetate?
The IUPAC name of methyl 2-[2-[(3,5-dichlorophenoxy)methyl]phenyl]-2-methoxyacetate (CID 101177991) is methyl 2-[2-[(3,5-dichlorophenoxy)methyl]phenyl]-2-methoxyacetate.
What is the SMILES notation for methyl 2-[2-[(3,5-dichlorophenoxy)methyl]phenyl]-2-methoxyacetate?
The canonical SMILES for methyl 2-[2-[(3,5-dichlorophenoxy)methyl]phenyl]-2-methoxyacetate is COC(=O)C(OC)c1ccccc1COc1cc(Cl)cc(Cl)c1.
What is the InChIKey of methyl 2-[2-[(3,5-dichlorophenoxy)methyl]phenyl]-2-methoxyacetate?
The InChIKey is SRMXOIBOUYOXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O4/c1-21-16(17(20)22-2)15-6-4-3-5-11(15)10-23-14-8-12(18)7-13(19)9-14/h3-9,16H,10H2,1-2H3.
What are the key properties of methyl 2-[2-[(3,5-dichlorophenoxy)methyl]phenyl]-2-methoxyacetate?
methyl 2-[2-[(3,5-dichlorophenoxy)methyl]phenyl]-2-methoxyacetate has a molecular weight of 355.22 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(3,5-dichlorophenoxy)methyl]phenyl]-2-methoxyacetate is sourced from PubChem (CID 101177991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).