methyl 2-[2-[(4-chlorophenoxy)methyl]phenyl]-2-methoxyacetate

C17H17ClO4 — CID 101177986

IUPACmethyl 2-[2-[(4-chlorophenoxy)methyl]phenyl]-2-methoxyacetate
SMILESCOC(=O)C(OC)c1ccccc1COc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClO4/c1-20-16(17(19)21-2)15-6-4-3-5-12(15)11-22-14-9-7-13(18)8-10-14/h3-10,16H,11H2,1-2H3
InChIKeyQAPNJPPGWWQCLD-UHFFFAOYSA-N
MW320.77 g/mol
LogP3.78
Rot. Bonds6

About methyl 2-[2-[(4-chlorophenoxy)methyl]phenyl]-2-methoxyacetate

methyl 2-[2-[(4-chlorophenoxy)methyl]phenyl]-2-methoxyacetate (PubChem CID 101177986) has the molecular formula C17H17ClO4 and a molecular weight of 320.77 g/mol. Its IUPAC name is methyl 2-[2-[(4-chlorophenoxy)methyl]phenyl]-2-methoxyacetate.

Molecular Properties

Compound Namemethyl 2-[2-[(4-chlorophenoxy)methyl]phenyl]-2-methoxyacetate
PubChem CID101177986
Molecular FormulaC17H17ClO4
Molecular Weight320.77 g/mol
Exact Mass320.08
IUPAC Namemethyl 2-[2-[(4-chlorophenoxy)methyl]phenyl]-2-methoxyacetate
SMILESCOC(=O)C(OC)c1ccccc1COc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClO4/c1-20-16(17(19)21-2)15-6-4-3-5-12(15)11-22-14-9-7-13(18)8-10-14/h3-10,16H,11H2,1-2H3
InChIKeyQAPNJPPGWWQCLD-UHFFFAOYSA-N
XLogP3.78
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-[(3,5-dichlorophenoxy)methyl]phenyl]-2-methoxyacetate
CID 101177991
2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide
CID 101177998
2-[2-[(3,4-dimethylphenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide
CID 101178001
methyl 3-(4-chlorophenoxy)-2-methylpropanoate
CID 43537622
methyl (2S)-2-amino-3-(4-chlorophenoxy)propanoate
CID 99737689
ethane;methyl 2-methoxy-2-[2-[[6-[(Z)-N-methoxy-C-methylcarbonimidoyl]-3,5-dimethyl-2-pyridinyl]oxymethyl]phenyl]acetate
CID 54235640
methyl 2-[4-[3-(4-chlorophenoxy)propoxy]phenyl]-2-(4-phenoxyphenoxy)acetate
CID 131711333
methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanoate
CID 171865239
methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methylsulfonylacetate
CID 18357810
N'-[2-(4-chlorophenoxy)acetyl]-2-(2-methylphenyl)acetohydrazide
CID 26163587
2-(4-chlorophenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7719123
2-[(4-ethoxyphenoxy)methyl]benzohydrazide
CID 63577001

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(4-chlorophenoxy)methyl]phenyl]-2-methoxyacetate?
The IUPAC name of methyl 2-[2-[(4-chlorophenoxy)methyl]phenyl]-2-methoxyacetate (CID 101177986) is methyl 2-[2-[(4-chlorophenoxy)methyl]phenyl]-2-methoxyacetate.
What is the SMILES notation for methyl 2-[2-[(4-chlorophenoxy)methyl]phenyl]-2-methoxyacetate?
The canonical SMILES for methyl 2-[2-[(4-chlorophenoxy)methyl]phenyl]-2-methoxyacetate is COC(=O)C(OC)c1ccccc1COc1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[2-[(4-chlorophenoxy)methyl]phenyl]-2-methoxyacetate?
The InChIKey is QAPNJPPGWWQCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO4/c1-20-16(17(19)21-2)15-6-4-3-5-12(15)11-22-14-9-7-13(18)8-10-14/h3-10,16H,11H2,1-2H3.
What are the key properties of methyl 2-[2-[(4-chlorophenoxy)methyl]phenyl]-2-methoxyacetate?
methyl 2-[2-[(4-chlorophenoxy)methyl]phenyl]-2-methoxyacetate has a molecular weight of 320.77 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(4-chlorophenoxy)methyl]phenyl]-2-methoxyacetate is sourced from PubChem (CID 101177986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).