2-methyl-3-[(2-methylpropan-2-yl)oxy]benzoic acid

C12H16O3 — CID 69362108

IUPAC2-methyl-3-[(2-methylpropan-2-yl)oxy]benzoic acid
SMILESCc1c(OC(C)(C)C)cccc1C(=O)O
InChIInChI=1S/C12H16O3/c1-8-9(11(13)14)6-5-7-10(8)15-12(2,3)4/h5-7H,1-4H3,(H,13,14)
InChIKeyASEPFXPQHUWXAF-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.87
Rot. Bonds2

About 2-methyl-3-[(2-methylpropan-2-yl)oxy]benzoic acid

2-methyl-3-[(2-methylpropan-2-yl)oxy]benzoic acid (PubChem CID 69362108) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-methyl-3-[(2-methylpropan-2-yl)oxy]benzoic acid.

Molecular Properties

Compound Name2-methyl-3-[(2-methylpropan-2-yl)oxy]benzoic acid
PubChem CID69362108
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-methyl-3-[(2-methylpropan-2-yl)oxy]benzoic acid
SMILESCc1c(OC(C)(C)C)cccc1C(=O)O
InChIInChI=1S/C12H16O3/c1-8-9(11(13)14)6-5-7-10(8)15-12(2,3)4/h5-7H,1-4H3,(H,13,14)
InChIKeyASEPFXPQHUWXAF-UHFFFAOYSA-N
XLogP2.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-[(2-methylpropan-2-yl)oxy]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbonic acid;2-[(2-methylpropan-2-yl)oxy]benzoic acid
CID 137455638
3-acetyloxy-2-methylbenzoic acid
CID 3798557
3-acetyloxy-2-methylbenzoic acid;hydrochloride
CID 172770028
carbonic acid;2-methylbenzene-1,3-dicarboxylic acid
CID 174390462
3-(cyanomethoxy)-2-methylbenzoic acid
CID 82829849
3-(2-ethyl-2-hydroxybutoxy)-2-methylbenzoic acid
CID 114491360
3-(2-hydroxybenzoyl)oxy-2-methylbenzoic acid
CID 129189954
3-carbonochloridoyl-2-methylbenzoic acid
CID 89389383
3-(3-cyano-3-methylbutoxy)-2-methylbenzoic acid
CID 82829300
2-[(2-methylpropan-2-yl)oxy]benzamide
CID 23204949
2-methyl-3-(3,3,3-trifluoro-2-hydroxypropoxy)benzoic acid
CID 82827437
3-(2-cyclopropylethoxy)-2-methylbenzoic acid
CID 82827361

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methylpropan-2-yl)oxy]benzoic acid?
The IUPAC name of 2-methyl-3-[(2-methylpropan-2-yl)oxy]benzoic acid (CID 69362108) is 2-methyl-3-[(2-methylpropan-2-yl)oxy]benzoic acid.
What is the SMILES notation for 2-methyl-3-[(2-methylpropan-2-yl)oxy]benzoic acid?
The canonical SMILES for 2-methyl-3-[(2-methylpropan-2-yl)oxy]benzoic acid is Cc1c(OC(C)(C)C)cccc1C(=O)O.
What is the InChIKey of 2-methyl-3-[(2-methylpropan-2-yl)oxy]benzoic acid?
The InChIKey is ASEPFXPQHUWXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-8-9(11(13)14)6-5-7-10(8)15-12(2,3)4/h5-7H,1-4H3,(H,13,14).
What are the key properties of 2-methyl-3-[(2-methylpropan-2-yl)oxy]benzoic acid?
2-methyl-3-[(2-methylpropan-2-yl)oxy]benzoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methylpropan-2-yl)oxy]benzoic acid is sourced from PubChem (CID 69362108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).