2-(2-methoxy-2-methylpropyl)benzoic acid

C12H16O3 — CID 117111489

IUPAC2-(2-methoxy-2-methylpropyl)benzoic acid
SMILESCOC(C)(C)Cc1ccccc1C(=O)O
InChIInChI=1S/C12H16O3/c1-12(2,15-3)8-9-6-4-5-7-10(9)11(13)14/h4-7H,8H2,1-3H3,(H,13,14)
InChIKeyOONPJMZDQKCEJD-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.35
Rot. Bonds4

About 2-(2-methoxy-2-methylpropyl)benzoic acid

2-(2-methoxy-2-methylpropyl)benzoic acid (PubChem CID 117111489) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(2-methoxy-2-methylpropyl)benzoic acid.

Molecular Properties

Compound Name2-(2-methoxy-2-methylpropyl)benzoic acid
PubChem CID117111489
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-(2-methoxy-2-methylpropyl)benzoic acid
SMILESCOC(C)(C)Cc1ccccc1C(=O)O
InChIInChI=1S/C12H16O3/c1-12(2,15-3)8-9-6-4-5-7-10(9)11(13)14/h4-7H,8H2,1-3H3,(H,13,14)
InChIKeyOONPJMZDQKCEJD-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-methoxy-2-methylpropyl)phenyl]ethanone
CID 117112066
2-(2-amino-2-methylpropyl)benzoic acid
CID 175240257
2-[(3-methoxy-3-methylbutoxy)methyl]benzoic acid
CID 106664742
1-[2-(2-methoxy-2-methylpropyl)phenyl]propan-2-one
CID 117114928
2-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]benzoic acid
CID 113431494
2-(2,2,3,3,3-pentafluoropropyl)benzoic acid
CID 71772649
2-ethylbenzoic acid;tungsten
CID 23518478
2-[bis[(2-methylpropan-2-yl)oxy]phosphanyloxymethyl]benzoic acid
CID 168916198
2-(2-oxobutyl)benzoic acid
CID 12758327
2-(2-ethoxy-2-oxoethyl)benzoic acid
CID 11367771
2-(2-methoxypropan-2-yl)benzoic acid
CID 117111487
methoxymethylbenzene;2-(methoxymethyl)benzoic acid
CID 175486457

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-2-methylpropyl)benzoic acid?
The IUPAC name of 2-(2-methoxy-2-methylpropyl)benzoic acid (CID 117111489) is 2-(2-methoxy-2-methylpropyl)benzoic acid.
What is the SMILES notation for 2-(2-methoxy-2-methylpropyl)benzoic acid?
The canonical SMILES for 2-(2-methoxy-2-methylpropyl)benzoic acid is COC(C)(C)Cc1ccccc1C(=O)O.
What is the InChIKey of 2-(2-methoxy-2-methylpropyl)benzoic acid?
The InChIKey is OONPJMZDQKCEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-12(2,15-3)8-9-6-4-5-7-10(9)11(13)14/h4-7H,8H2,1-3H3,(H,13,14).
What are the key properties of 2-(2-methoxy-2-methylpropyl)benzoic acid?
2-(2-methoxy-2-methylpropyl)benzoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-2-methylpropyl)benzoic acid is sourced from PubChem (CID 117111489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).