methyl 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-hydroxyacetate

C13H17ClO4 — CID 117434568

IUPACmethyl 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(Cl)cc(C(C)C)c1OC
InChIInChI=1S/C13H17ClO4/c1-7(2)9-5-8(14)6-10(12(9)17-3)11(15)13(16)18-4/h5-7,11,15H,1-4H3
InChIKeyYGGXCWYCKUURAN-UHFFFAOYSA-N
MW272.73 g/mol
LogP2.68
Rot. Bonds4

About methyl 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-hydroxyacetate

methyl 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-hydroxyacetate (PubChem CID 117434568) has the molecular formula C13H17ClO4 and a molecular weight of 272.73 g/mol. Its IUPAC name is methyl 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-hydroxyacetate
PubChem CID117434568
Molecular FormulaC13H17ClO4
Molecular Weight272.73 g/mol
Exact Mass272.08
IUPAC Namemethyl 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(Cl)cc(C(C)C)c1OC
InChIInChI=1S/C13H17ClO4/c1-7(2)9-5-8(14)6-10(12(9)17-3)11(15)13(16)18-4/h5-7,11,15H,1-4H3
InChIKeyYGGXCWYCKUURAN-UHFFFAOYSA-N
XLogP2.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-chloro-2,5-dimethoxyphenyl)-2-hydroxyacetate
CID 117406054
methyl 2-(5-chloro-3-methoxy-2-methylphenyl)-2-hydroxyacetate
CID 117363678
methyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate
CID 117329439
5-chloro-2-methoxy-3-propan-2-ylphenol
CID 82265898
2-(5-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117341280
3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117430052
methyl 3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propanoate
CID 82552820
1-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propan-2-ol
CID 117358952
methyl 2-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-hydroxyacetate
CID 117487579
methyl 2-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetate
CID 117388910
methyl 2-(3-bromo-5-ethyl-2-methoxyphenyl)-2-hydroxyacetate
CID 117488003
3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propanoic acid
CID 82265884

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-hydroxyacetate (CID 117434568) is methyl 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-hydroxyacetate is COC(=O)C(O)c1cc(Cl)cc(C(C)C)c1OC.
What is the InChIKey of methyl 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-hydroxyacetate?
The InChIKey is YGGXCWYCKUURAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO4/c1-7(2)9-5-8(14)6-10(12(9)17-3)11(15)13(16)18-4/h5-7,11,15H,1-4H3.
What are the key properties of methyl 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-hydroxyacetate?
methyl 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-hydroxyacetate has a molecular weight of 272.73 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117434568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).