2-methyl-2-phenylmethoxybutanoic acid

C12H16O3 — CID 14683642

IUPAC2-methyl-2-phenylmethoxybutanoic acid
SMILESCCC(C)(OCc1ccccc1)C(=O)O
InChIInChI=1S/C12H16O3/c1-3-12(2,11(13)14)15-9-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,13,14)
InChIKeySZOIBJNWSXXLGA-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.46
Rot. Bonds5

About 2-methyl-2-phenylmethoxybutanoic acid

2-methyl-2-phenylmethoxybutanoic acid (PubChem CID 14683642) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-methyl-2-phenylmethoxybutanoic acid.

Molecular Properties

Compound Name2-methyl-2-phenylmethoxybutanoic acid
PubChem CID14683642
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-methyl-2-phenylmethoxybutanoic acid
SMILESCCC(C)(OCc1ccccc1)C(=O)O
InChIInChI=1S/C12H16O3/c1-3-12(2,11(13)14)15-9-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,13,14)
InChIKeySZOIBJNWSXXLGA-UHFFFAOYSA-N
XLogP2.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2,3,3-trimethyl-2-phenylmethoxybutanoic acid
CID 14683672
3-(4-bromophenyl)-2-methyl-2-phenylmethoxypropanoic acid
CID 67305553
(2S)-3-(4-bromophenyl)-2-methyl-2-phenylmethoxypropanoic acid
CID 67304966
benzyl (2S)-2-amino-2-methylbutanoate
CID 15660566
2-(1,3-benzodioxol-5-ylmethoxy)-2-methylbutanoic acid
CID 131871962
3-ethoxy-3-methyl-1-phenylpentan-2-one
CID 116746963
1,1-bis(phenylmethoxy)ethyl propanoate
CID 91309948
2-phenylmethoxy-2-propan-2-ylpropanedioic acid
CID 21275279
ethyl 2-hydroxy-2-phenylmethoxypropanoate
CID 18454908
2,2-dimethyl-3-phenylmethoxypropanoic acid
CID 13478288
methyl 3-isocyano-2-methyl-2-phenylmethoxypropanoate
CID 152900998
3-methoxy-3-methyl-1-phenylpentan-2-one
CID 116746653

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenylmethoxybutanoic acid?
The IUPAC name of 2-methyl-2-phenylmethoxybutanoic acid (CID 14683642) is 2-methyl-2-phenylmethoxybutanoic acid.
What is the SMILES notation for 2-methyl-2-phenylmethoxybutanoic acid?
The canonical SMILES for 2-methyl-2-phenylmethoxybutanoic acid is CCC(C)(OCc1ccccc1)C(=O)O.
What is the InChIKey of 2-methyl-2-phenylmethoxybutanoic acid?
The InChIKey is SZOIBJNWSXXLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-3-12(2,11(13)14)15-9-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-2-phenylmethoxybutanoic acid?
2-methyl-2-phenylmethoxybutanoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenylmethoxybutanoic acid is sourced from PubChem (CID 14683642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).