3-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2,2-dimethylpropanoic acid

C16H24O3 — CID 117107937

IUPAC3-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2,2-dimethylpropanoic acid
SMILESCOCC(C)(C)c1ccccc1CC(C)(C)C(=O)O
InChIInChI=1S/C16H24O3/c1-15(2,14(17)18)10-12-8-6-7-9-13(12)16(3,4)11-19-5/h6-9H,10-11H2,1-5H3,(H,17,18)
InChIKeyMOHPIJXPLMDEMW-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.26
Rot. Bonds6

About 3-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2,2-dimethylpropanoic acid

3-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2,2-dimethylpropanoic acid (PubChem CID 117107937) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2,2-dimethylpropanoic acid
PubChem CID117107937
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name3-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2,2-dimethylpropanoic acid
SMILESCOCC(C)(C)c1ccccc1CC(C)(C)C(=O)O
InChIInChI=1S/C16H24O3/c1-15(2,14(17)18)10-12-8-6-7-9-13(12)16(3,4)11-19-5/h6-9H,10-11H2,1-5H3,(H,17,18)
InChIKeyMOHPIJXPLMDEMW-UHFFFAOYSA-N
XLogP3.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2-fluoropropan-2-yl)phenyl]-2,2-dimethylpropanoic acid
CID 117349418
2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]ethanamine
CID 117110840
3-[3-(1,1-difluoroethyl)-2-methoxyphenyl]-2,2-dimethylpropanoic acid
CID 117433409
3-[2-(1,2-dimethoxyethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117420017
3-(3-ethyl-2-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117345111
2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]propanoic acid
CID 115113081
3-(2-ethoxyphenyl)-2,2-dimethylpropanoic acid
CID 82286918
3-(2-methoxy-3-methylsulfonylphenyl)-2,2-dimethylpropanoic acid
CID 117461941
1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-(methylamino)ethanone
CID 117108291
3-[2-(2,2-difluoropropyl)phenyl]-3-methylbutanoic acid
CID 117394032
2-[2-(2-methoxypropan-2-yl)phenyl]acetic acid
CID 117111517
3-(2-acetamido-3-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117417062

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2,2-dimethylpropanoic acid (CID 117107937) is 3-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2,2-dimethylpropanoic acid is COCC(C)(C)c1ccccc1CC(C)(C)C(=O)O.
What is the InChIKey of 3-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2,2-dimethylpropanoic acid?
The InChIKey is MOHPIJXPLMDEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-15(2,14(17)18)10-12-8-6-7-9-13(12)16(3,4)11-19-5/h6-9H,10-11H2,1-5H3,(H,17,18).
What are the key properties of 3-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2,2-dimethylpropanoic acid?
3-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2,2-dimethylpropanoic acid has a molecular weight of 264.37 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 117107937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).