methyl 2-(2-hydroxy-4,6-dimethylphenyl)acetate

C11H14O3 — CID 131029302

IUPACmethyl 2-(2-hydroxy-4,6-dimethylphenyl)acetate
SMILESCOC(=O)Cc1c(C)cc(C)cc1O
InChIInChI=1S/C11H14O3/c1-7-4-8(2)9(10(12)5-7)6-11(13)14-3/h4-5,12H,6H2,1-3H3
InChIKeyITJBYCWVJIDZKB-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.72
Rot. Bonds2

About methyl 2-(2-hydroxy-4,6-dimethylphenyl)acetate

methyl 2-(2-hydroxy-4,6-dimethylphenyl)acetate (PubChem CID 131029302) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl 2-(2-hydroxy-4,6-dimethylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-hydroxy-4,6-dimethylphenyl)acetate
PubChem CID131029302
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namemethyl 2-(2-hydroxy-4,6-dimethylphenyl)acetate
SMILESCOC(=O)Cc1c(C)cc(C)cc1O
InChIInChI=1S/C11H14O3/c1-7-4-8(2)9(10(12)5-7)6-11(13)14-3/h4-5,12H,6H2,1-3H3
InChIKeyITJBYCWVJIDZKB-UHFFFAOYSA-N
XLogP1.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-3-(2-hydroxy-4,6-dimethylphenyl)propanoate
CID 155822076
methyl 2-(2-ethyl-6-methoxy-4-methylphenyl)acetate
CID 59302016
methyl 2-(2-bromo-6-ethyl-4-methylphenyl)acetate
CID 58892842
methyl 2-(4-hydroxy-6-methyl-1H-indol-2-yl)acetate
CID 131413897
methyl 2-(2,4,6-trifluorophenyl)acetate
CID 66608247
methyl 2-[4-(2,4,6-trimethylphenyl)phenyl]acetate
CID 143366295
methyl 4-(2-methoxy-4,6-dimethylphenyl)butanoate
CID 98784006
methyl 2-[2-chloro-4-(chloromethyl)-6-methylphenyl]acetate
CID 171015797
methyl 2-hydroxy-4,6-dimethylbenzoate;methyl 2,4,6-trimethylbenzoate
CID 161420499
methyl 2-(2-fluoro-3,6-dimethylphenyl)acetate
CID 130870256
methyl 2-(2-fluoro-4-hydroxy-5-methylphenyl)acetate
CID 131424845
methyl 2-(2-chloro-4-formyl-6-methylphenyl)acetate
CID 171021659

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-hydroxy-4,6-dimethylphenyl)acetate?
The IUPAC name of methyl 2-(2-hydroxy-4,6-dimethylphenyl)acetate (CID 131029302) is methyl 2-(2-hydroxy-4,6-dimethylphenyl)acetate.
What is the SMILES notation for methyl 2-(2-hydroxy-4,6-dimethylphenyl)acetate?
The canonical SMILES for methyl 2-(2-hydroxy-4,6-dimethylphenyl)acetate is COC(=O)Cc1c(C)cc(C)cc1O.
What is the InChIKey of methyl 2-(2-hydroxy-4,6-dimethylphenyl)acetate?
The InChIKey is ITJBYCWVJIDZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-7-4-8(2)9(10(12)5-7)6-11(13)14-3/h4-5,12H,6H2,1-3H3.
What are the key properties of methyl 2-(2-hydroxy-4,6-dimethylphenyl)acetate?
methyl 2-(2-hydroxy-4,6-dimethylphenyl)acetate has a molecular weight of 194.23 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-hydroxy-4,6-dimethylphenyl)acetate is sourced from PubChem (CID 131029302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).