methyl 2-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-hydroxyacetate

C14H19ClO5 — CID 117487579

IUPACmethyl 2-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(Cl)cc(OC)c(OC)c1C(C)C
InChIInChI=1S/C14H19ClO5/c1-7(2)10-11(12(16)14(17)20-5)8(15)6-9(18-3)13(10)19-4/h6-7,12,16H,1-5H3
InChIKeyLYJBJLKPRBWHGB-UHFFFAOYSA-N
MW302.75 g/mol
LogP2.69
Rot. Bonds5

About methyl 2-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-hydroxyacetate

methyl 2-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-hydroxyacetate (PubChem CID 117487579) has the molecular formula C14H19ClO5 and a molecular weight of 302.75 g/mol. Its IUPAC name is methyl 2-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-hydroxyacetate
PubChem CID117487579
Molecular FormulaC14H19ClO5
Molecular Weight302.75 g/mol
Exact Mass302.09
IUPAC Namemethyl 2-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(Cl)cc(OC)c(OC)c1C(C)C
InChIInChI=1S/C14H19ClO5/c1-7(2)10-11(12(16)14(17)20-5)8(15)6-9(18-3)13(10)19-4/h6-7,12,16H,1-5H3
InChIKeyLYJBJLKPRBWHGB-UHFFFAOYSA-N
XLogP2.69
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.75
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-2-hydroxyacetate
CID 117469723
methyl 2-(2-chloro-3,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117406038
methyl 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-hydroxyacetate
CID 117434568
methyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate
CID 117409610
methyl 2-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)acetate
CID 117357190
2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)acetic acid
CID 117441313
methyl 2-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetate
CID 117388910
methyl 2-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117474610
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine
CID 84693142
methyl 2-(3-chloro-2,5-dimethoxyphenyl)-2-hydroxyacetate
CID 117406054
methyl 2-(3-chloro-5-methoxy-4-methylphenyl)-2-hydroxyacetate
CID 117363693
methyl 2-hydroxy-2-(3-methoxy-2-propan-2-ylphenyl)acetate
CID 117349063

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-hydroxyacetate (CID 117487579) is methyl 2-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-hydroxyacetate is COC(=O)C(O)c1c(Cl)cc(OC)c(OC)c1C(C)C.
What is the InChIKey of methyl 2-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-hydroxyacetate?
The InChIKey is LYJBJLKPRBWHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO5/c1-7(2)10-11(12(16)14(17)20-5)8(15)6-9(18-3)13(10)19-4/h6-7,12,16H,1-5H3.
What are the key properties of methyl 2-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-hydroxyacetate?
methyl 2-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-hydroxyacetate has a molecular weight of 302.75 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117487579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).