methyl 2-hydroxy-3-(2-methylpropyl)benzoate

C12H16O3 — CID 16754220

IUPACmethyl 2-hydroxy-3-(2-methylpropyl)benzoate
SMILESCOC(=O)c1cccc(CC(C)C)c1O
InChIInChI=1S/C12H16O3/c1-8(2)7-9-5-4-6-10(11(9)13)12(14)15-3/h4-6,8,13H,7H2,1-3H3
InChIKeyUEPVBXSMSCCPQL-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.38
Rot. Bonds3

About methyl 2-hydroxy-3-(2-methylpropyl)benzoate

methyl 2-hydroxy-3-(2-methylpropyl)benzoate (PubChem CID 16754220) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 2-hydroxy-3-(2-methylpropyl)benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-(2-methylpropyl)benzoate
PubChem CID16754220
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namemethyl 2-hydroxy-3-(2-methylpropyl)benzoate
SMILESCOC(=O)c1cccc(CC(C)C)c1O
InChIInChI=1S/C12H16O3/c1-8(2)7-9-5-4-6-10(11(9)13)12(14)15-3/h4-6,8,13H,7H2,1-3H3
InChIKeyUEPVBXSMSCCPQL-UHFFFAOYSA-N
XLogP2.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-hydroxy-3-(hydroxymethyl)benzoate
CID 54246985
[(2S)-2-phenylpropanoyl] 2-hydroxy-3-(2-methylpropyl)benzoate
CID 91259575
methyl 2-hydroxy-3-(3-phenylpropyl)benzoate
CID 16754223
methyl 2-hydroxy-3-(3-methylbutanoylamino)benzoate
CID 108768054
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
2-(2-methylpropyl)benzenecarboperoxoic acid
CID 87614566
methyl 2-hydroxy-3-(piperidin-4-ylmethyl)benzoate
CID 118948751
methyl 2-[(1-phenylethylamino)methyl]benzoate
CID 43755919
methyl 2-[[[(1S)-1-phenylethyl]amino]methyl]benzoate
CID 81351010
ethane;methyl 2-(bromomethyl)benzoate
CID 90986523
ethane;methyl 2-(bromomethyl)benzoate
CID 90979154
dimethyl benzene-1,2-dicarboxylate;propane-1,2-diol
CID 70524314

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-(2-methylpropyl)benzoate?
The IUPAC name of methyl 2-hydroxy-3-(2-methylpropyl)benzoate (CID 16754220) is methyl 2-hydroxy-3-(2-methylpropyl)benzoate.
What is the SMILES notation for methyl 2-hydroxy-3-(2-methylpropyl)benzoate?
The canonical SMILES for methyl 2-hydroxy-3-(2-methylpropyl)benzoate is COC(=O)c1cccc(CC(C)C)c1O.
What is the InChIKey of methyl 2-hydroxy-3-(2-methylpropyl)benzoate?
The InChIKey is UEPVBXSMSCCPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-8(2)7-9-5-4-6-10(11(9)13)12(14)15-3/h4-6,8,13H,7H2,1-3H3.
What are the key properties of methyl 2-hydroxy-3-(2-methylpropyl)benzoate?
methyl 2-hydroxy-3-(2-methylpropyl)benzoate has a molecular weight of 208.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-(2-methylpropyl)benzoate is sourced from PubChem (CID 16754220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).