methoxymethyl (2R)-2-(4-chlorophenyl)-2-(methoxymethoxy)acetate

C12H15ClO5 — CID 124672414

IUPACmethoxymethyl (2R)-2-(4-chlorophenyl)-2-(methoxymethoxy)acetate
SMILESCOCOC(=O)[C@H](OCOC)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClO5/c1-15-7-17-11(12(14)18-8-16-2)9-3-5-10(13)6-4-9/h3-6,11H,7-8H2,1-2H3/t11-/m1/s1
InChIKeyVJLJWSWAYPDKAF-LLVKDONJSA-N
MW274.70 g/mol
LogP2.15
Rot. Bonds7

About methoxymethyl (2R)-2-(4-chlorophenyl)-2-(methoxymethoxy)acetate

methoxymethyl (2R)-2-(4-chlorophenyl)-2-(methoxymethoxy)acetate (PubChem CID 124672414) has the molecular formula C12H15ClO5 and a molecular weight of 274.70 g/mol. Its IUPAC name is methoxymethyl (2R)-2-(4-chlorophenyl)-2-(methoxymethoxy)acetate.

Molecular Properties

Compound Namemethoxymethyl (2R)-2-(4-chlorophenyl)-2-(methoxymethoxy)acetate
PubChem CID124672414
Molecular FormulaC12H15ClO5
Molecular Weight274.70 g/mol
Exact Mass274.06
IUPAC Namemethoxymethyl (2R)-2-(4-chlorophenyl)-2-(methoxymethoxy)acetate
SMILESCOCOC(=O)[C@H](OCOC)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClO5/c1-15-7-17-11(12(14)18-8-16-2)9-3-5-10(13)6-4-9/h3-6,11H,7-8H2,1-2H3/t11-/m1/s1
InChIKeyVJLJWSWAYPDKAF-LLVKDONJSA-N
XLogP2.15
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-1,3-dimethoxypropan-2-one
CID 14813833
2-(2-chloroethoxy)-2-(4-chlorophenyl)acetic acid
CID 83223627
1-(4-chlorophenyl)-1-methoxypentan-2-one
CID 83225390
2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid
CID 70572133
1-(4-chlorophenyl)-1-propoxypentan-2-one
CID 83225276
[1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium
CID 4656134
[(1R)-1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium
CID 7067068
3-amino-3-(4-chlorophenyl)-N'-methylpropanehydrazide
CID 116849632
ethyl (2S)-2-amino-2-(4-chlorophenyl)acetate
CID 31882253
(2R)-2-acetyloxy-2-(4-chlorophenyl)acetic acid
CID 86332935
ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate
CID 93047913
ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate
CID 31882254

Frequently Asked Questions

What is the IUPAC name of methoxymethyl (2R)-2-(4-chlorophenyl)-2-(methoxymethoxy)acetate?
The IUPAC name of methoxymethyl (2R)-2-(4-chlorophenyl)-2-(methoxymethoxy)acetate (CID 124672414) is methoxymethyl (2R)-2-(4-chlorophenyl)-2-(methoxymethoxy)acetate.
What is the SMILES notation for methoxymethyl (2R)-2-(4-chlorophenyl)-2-(methoxymethoxy)acetate?
The canonical SMILES for methoxymethyl (2R)-2-(4-chlorophenyl)-2-(methoxymethoxy)acetate is COCOC(=O)[C@H](OCOC)c1ccc(Cl)cc1.
What is the InChIKey of methoxymethyl (2R)-2-(4-chlorophenyl)-2-(methoxymethoxy)acetate?
The InChIKey is VJLJWSWAYPDKAF-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15ClO5/c1-15-7-17-11(12(14)18-8-16-2)9-3-5-10(13)6-4-9/h3-6,11H,7-8H2,1-2H3/t11-/m1/s1.
What are the key properties of methoxymethyl (2R)-2-(4-chlorophenyl)-2-(methoxymethoxy)acetate?
methoxymethyl (2R)-2-(4-chlorophenyl)-2-(methoxymethoxy)acetate has a molecular weight of 274.70 g/mol, XLogP of 2.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl (2R)-2-(4-chlorophenyl)-2-(methoxymethoxy)acetate is sourced from PubChem (CID 124672414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).