2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]propanoic acid

C14H20O3 — CID 115113081

IUPAC2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]propanoic acid
SMILESCOCC(C)(C)c1ccccc1C(C)C(=O)O
InChIInChI=1S/C14H20O3/c1-10(13(15)16)11-7-5-6-8-12(11)14(2,3)9-17-4/h5-8,10H,9H2,1-4H3,(H,15,16)
InChIKeyCACHTVZEHPVQLJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.80
Rot. Bonds5

About 2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]propanoic acid

2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]propanoic acid (PubChem CID 115113081) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]propanoic acid
PubChem CID115113081
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]propanoic acid
SMILESCOCC(C)(C)c1ccccc1C(C)C(=O)O
InChIInChI=1S/C14H20O3/c1-10(13(15)16)11-7-5-6-8-12(11)14(2,3)9-17-4/h5-8,10H,9H2,1-4H3,(H,15,16)
InChIKeyCACHTVZEHPVQLJ-UHFFFAOYSA-N
XLogP2.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(1,1-difluoroethyl)-2-methoxyphenyl]propanoic acid
CID 84704413
3-[2-(1-methoxyethyl)phenyl]-3-methylbutanoic acid
CID 115112920
3-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2,2-dimethylpropanoic acid
CID 117107937
2-(2-propan-2-ylphenyl)propanoic acid
CID 66999361
3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpropanoic acid
CID 115112839
[2-methyl-2-(2-methylphenyl)propyl] acetate
CID 166865476
1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-(methylamino)ethanone
CID 117108291
(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
CID 129363475
(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]propanoic acid
CID 129389983
1-(1,2-dimethoxypropan-2-yl)-2-propan-2-ylbenzene
CID 59734576
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
2-[2-(fluoromethyl)phenyl]propanoic acid
CID 18434881

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]propanoic acid?
The IUPAC name of 2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]propanoic acid (CID 115113081) is 2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]propanoic acid.
What is the SMILES notation for 2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]propanoic acid?
The canonical SMILES for 2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]propanoic acid is COCC(C)(C)c1ccccc1C(C)C(=O)O.
What is the InChIKey of 2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]propanoic acid?
The InChIKey is CACHTVZEHPVQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10(13(15)16)11-7-5-6-8-12(11)14(2,3)9-17-4/h5-8,10H,9H2,1-4H3,(H,15,16).
What are the key properties of 2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]propanoic acid?
2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]propanoic acid has a molecular weight of 236.31 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]propanoic acid is sourced from PubChem (CID 115113081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).