2-[2-(2-methoxypropan-2-yl)phenyl]acetic acid

C12H16O3 — CID 117111517

IUPAC2-[2-(2-methoxypropan-2-yl)phenyl]acetic acid
SMILESCOC(C)(C)c1ccccc1CC(=O)O
InChIInChI=1S/C12H16O3/c1-12(2,15-3)10-7-5-4-6-9(10)8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)
InChIKeyVBXOAQLDKUGOEE-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.20
Rot. Bonds4

About 2-[2-(2-methoxypropan-2-yl)phenyl]acetic acid

2-[2-(2-methoxypropan-2-yl)phenyl]acetic acid (PubChem CID 117111517) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[2-(2-methoxypropan-2-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methoxypropan-2-yl)phenyl]acetic acid
PubChem CID117111517
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-[2-(2-methoxypropan-2-yl)phenyl]acetic acid
SMILESCOC(C)(C)c1ccccc1CC(=O)O
InChIInChI=1S/C12H16O3/c1-12(2,15-3)10-7-5-4-6-9(10)8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)
InChIKeyVBXOAQLDKUGOEE-UHFFFAOYSA-N
XLogP2.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(2-methoxypropan-2-yl)phenyl]acetic 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

1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-one
CID 117114917
N-[[2-(2-methoxypropan-2-yl)phenyl]methyl]hydroxylamine
CID 117110998
2-[2-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]acetic acid
CID 115042618
2-(2-methoxypropan-2-yl)benzoic acid
CID 117111487
1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-ol
CID 117114443
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
4-amino-4-[2-(2-methoxypropan-2-yl)phenyl]butanoic acid
CID 117115917
2-(3-tert-butyl-2-methoxyphenyl)acetic acid
CID 21199434
1-(2-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)benzene
CID 129279587
N-[2-(2-methoxypropan-2-yl)phenyl]acetamide
CID 12541862
2-[2-(2-methoxypropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117113629
2-[2-(1-cyclobutyl-1-hydroxyethyl)phenyl]acetic acid
CID 115040193

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxypropan-2-yl)phenyl]acetic acid?
The IUPAC name of 2-[2-(2-methoxypropan-2-yl)phenyl]acetic acid (CID 117111517) is 2-[2-(2-methoxypropan-2-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(2-methoxypropan-2-yl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(2-methoxypropan-2-yl)phenyl]acetic acid is COC(C)(C)c1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-(2-methoxypropan-2-yl)phenyl]acetic acid?
The InChIKey is VBXOAQLDKUGOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-12(2,15-3)10-7-5-4-6-9(10)8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14).
What are the key properties of 2-[2-(2-methoxypropan-2-yl)phenyl]acetic acid?
2-[2-(2-methoxypropan-2-yl)phenyl]acetic acid has a molecular weight of 208.26 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxypropan-2-yl)phenyl]acetic acid is sourced from PubChem (CID 117111517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).