methyl (2R)-2-chloro-2-(3,5-dimethoxyphenyl)acetate

C11H13ClO4 — CID 94376627

IUPACmethyl (2R)-2-chloro-2-(3,5-dimethoxyphenyl)acetate
SMILESCOC(=O)[C@H](Cl)c1cc(OC)cc(OC)c1
InChIInChI=1S/C11H13ClO4/c1-14-8-4-7(5-9(6-8)15-2)10(12)11(13)16-3/h4-6,10H,1-3H3/t10-/m1/s1
InChIKeyRWNHCMSKBLURNY-SNVBAGLBSA-N
MW244.67 g/mol
LogP2.16
Rot. Bonds4

About methyl (2R)-2-chloro-2-(3,5-dimethoxyphenyl)acetate

methyl (2R)-2-chloro-2-(3,5-dimethoxyphenyl)acetate (PubChem CID 94376627) has the molecular formula C11H13ClO4 and a molecular weight of 244.67 g/mol. Its IUPAC name is methyl (2R)-2-chloro-2-(3,5-dimethoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-chloro-2-(3,5-dimethoxyphenyl)acetate
PubChem CID94376627
Molecular FormulaC11H13ClO4
Molecular Weight244.67 g/mol
Exact Mass244.05
IUPAC Namemethyl (2R)-2-chloro-2-(3,5-dimethoxyphenyl)acetate
SMILESCOC(=O)[C@H](Cl)c1cc(OC)cc(OC)c1
InChIInChI=1S/C11H13ClO4/c1-14-8-4-7(5-9(6-8)15-2)10(12)11(13)16-3/h4-6,10H,1-3H3/t10-/m1/s1
InChIKeyRWNHCMSKBLURNY-SNVBAGLBSA-N
XLogP2.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.67
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-cyclopropyl-2-(3,5-dimethoxyphenyl)acetamide
CID 55048151
methyl 3-(3,5-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 171864351
methyl 3-(3,5-dimethoxyphenyl)-3-hydroxy-2-methylpropanoate
CID 55071502
2-chloro-N-cyclohexyl-2-(3,5-dimethoxyphenyl)acetamide
CID 62224981
methyl 2-cyano-2-(3,5-dimethoxyphenyl)acetate
CID 121013498
1,3,5-trimethoxybenzene;urea
CID 174919725
methyl (2S)-2-(3,5-dimethoxyphenoxy)propanoate
CID 97170688
2-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 58785891
methyl 2-chloro-2-(3,4-dimethylphenyl)acetate
CID 62224922
methyl 2-(butan-2-ylamino)-2-(3,5-dimethoxyphenyl)acetate
CID 61024922
methyl 2-chloro-2-[4-(difluoromethyl)phenyl]acetate
CID 115525358
methyl 2-hydroxy-2-(3-methoxy-5-propan-2-ylphenyl)acetate
CID 117349068

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-chloro-2-(3,5-dimethoxyphenyl)acetate?
The IUPAC name of methyl (2R)-2-chloro-2-(3,5-dimethoxyphenyl)acetate (CID 94376627) is methyl (2R)-2-chloro-2-(3,5-dimethoxyphenyl)acetate.
What is the SMILES notation for methyl (2R)-2-chloro-2-(3,5-dimethoxyphenyl)acetate?
The canonical SMILES for methyl (2R)-2-chloro-2-(3,5-dimethoxyphenyl)acetate is COC(=O)[C@H](Cl)c1cc(OC)cc(OC)c1.
What is the InChIKey of methyl (2R)-2-chloro-2-(3,5-dimethoxyphenyl)acetate?
The InChIKey is RWNHCMSKBLURNY-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13ClO4/c1-14-8-4-7(5-9(6-8)15-2)10(12)11(13)16-3/h4-6,10H,1-3H3/t10-/m1/s1.
What are the key properties of methyl (2R)-2-chloro-2-(3,5-dimethoxyphenyl)acetate?
methyl (2R)-2-chloro-2-(3,5-dimethoxyphenyl)acetate has a molecular weight of 244.67 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-chloro-2-(3,5-dimethoxyphenyl)acetate is sourced from PubChem (CID 94376627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).