3-(2-methyl-2-phenoxypropyl)benzoic acid

C17H18O3 — CID 134350540

IUPAC3-(2-methyl-2-phenoxypropyl)benzoic acid
SMILESCC(C)(Cc1cccc(C(=O)O)c1)Oc1ccccc1
InChIInChI=1S/C17H18O3/c1-17(2,20-15-9-4-3-5-10-15)12-13-7-6-8-14(11-13)16(18)19/h3-11H,12H2,1-2H3,(H,18,19)
InChIKeyMWCBHWGMFIXEBB-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.78
Rot. Bonds5

About 3-(2-methyl-2-phenoxypropyl)benzoic acid

3-(2-methyl-2-phenoxypropyl)benzoic acid (PubChem CID 134350540) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-(2-methyl-2-phenoxypropyl)benzoic acid.

Molecular Properties

Compound Name3-(2-methyl-2-phenoxypropyl)benzoic acid
PubChem CID134350540
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name3-(2-methyl-2-phenoxypropyl)benzoic acid
SMILESCC(C)(Cc1cccc(C(=O)O)c1)Oc1ccccc1
InChIInChI=1S/C17H18O3/c1-17(2,20-15-9-4-3-5-10-15)12-13-7-6-8-14(11-13)16(18)19/h3-11H,12H2,1-2H3,(H,18,19)
InChIKeyMWCBHWGMFIXEBB-UHFFFAOYSA-N
XLogP3.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-methyl-2-phenoxypropyl)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

3-[(3-methoxyphenyl)methyl]benzoic acid
CID 86242874
3-(2,2,2-trifluoroethyl)benzoic acid
CID 14087914
3-[(2-amino-2-methylpropoxy)methyl]benzoic acid
CID 82353223
3-ethylbenzoic acid;propane
CID 177324794
3-[2-methyl-2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]propyl]benzoic acid
CID 70665521
3-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxybenzoic acid
CID 137444763
2-[3-(2-hydroxy-2-methylpropyl)phenyl]-2-oxoacetic acid
CID 117109001
(2-methyl-1-phenylpropan-2-yl) phenyl carbonate
CID 71329533
3-[(2-methoxyanilino)methyl]benzoic acid
CID 75357537
3-[(4-phenylphenoxy)methyl]benzoic acid
CID 18707489
3-[[[3-(3-chlorophenyl)-2,2-dimethylpropyl]amino]methyl]benzoic acid
CID 122031915
3-[3-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]benzoic acid
CID 156541522

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-2-phenoxypropyl)benzoic acid?
The IUPAC name of 3-(2-methyl-2-phenoxypropyl)benzoic acid (CID 134350540) is 3-(2-methyl-2-phenoxypropyl)benzoic acid.
What is the SMILES notation for 3-(2-methyl-2-phenoxypropyl)benzoic acid?
The canonical SMILES for 3-(2-methyl-2-phenoxypropyl)benzoic acid is CC(C)(Cc1cccc(C(=O)O)c1)Oc1ccccc1.
What is the InChIKey of 3-(2-methyl-2-phenoxypropyl)benzoic acid?
The InChIKey is MWCBHWGMFIXEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-17(2,20-15-9-4-3-5-10-15)12-13-7-6-8-14(11-13)16(18)19/h3-11H,12H2,1-2H3,(H,18,19).
What are the key properties of 3-(2-methyl-2-phenoxypropyl)benzoic acid?
3-(2-methyl-2-phenoxypropyl)benzoic acid has a molecular weight of 270.33 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-2-phenoxypropyl)benzoic acid is sourced from PubChem (CID 134350540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).