2-methyl-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropanoic acid

C14H20O3 — CID 114992406

IUPAC2-methyl-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropanoic acid
SMILESCC(C)(C)OC(C)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H20O3/c1-13(2,3)17-14(4,12(15)16)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,15,16)
InChIKeyKTSSHSNVUSRKKR-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.89
Rot. Bonds4

About 2-methyl-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropanoic acid

2-methyl-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropanoic acid (PubChem CID 114992406) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropanoic acid
PubChem CID114992406
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-methyl-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropanoic acid
SMILESCC(C)(C)OC(C)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H20O3/c1-13(2,3)17-14(4,12(15)16)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,15,16)
InChIKeyKTSSHSNVUSRKKR-UHFFFAOYSA-N
XLogP2.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxyethoxy)-2-methyl-3-phenylpropanoic acid
CID 114990567
2-(3-hydroxypropoxy)-2-methyl-3-phenylpropanoic acid
CID 103377988
2-(4-hydroxyphenoxy)-2-methyl-3-phenylpropanoic acid
CID 22261112
methyl (2R)-2-methoxy-2-methyl-3-phenylpropanoate
CID 57421207
3-(4-bromophenyl)-2-methyl-2-phenylmethoxypropanoic acid
CID 67305553
(2S)-3-(4-bromophenyl)-2-methyl-2-phenylmethoxypropanoic acid
CID 67304966
diethyl 2-benzyl-2-[(2-methylpropan-2-yl)oxy]propanedioate
CID 135197301
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
2-methyl-3-phenyl-2-sulfanylpropanoic acid
CID 19690137
2-methyl-3-phenyl-2-propan-2-yloxypropanamide
CID 142432674
methyl (2R)-2-acetyloxy-2-methyl-3-phenylpropanoate
CID 134892502
2-methyl-2-phenylmethoxybutanoic acid
CID 14683642

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropanoic acid?
The IUPAC name of 2-methyl-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropanoic acid (CID 114992406) is 2-methyl-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropanoic acid?
The canonical SMILES for 2-methyl-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropanoic acid is CC(C)(C)OC(C)(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropanoic acid?
The InChIKey is KTSSHSNVUSRKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-13(2,3)17-14(4,12(15)16)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,15,16).
What are the key properties of 2-methyl-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropanoic acid?
2-methyl-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropanoic acid has a molecular weight of 236.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropanoic acid is sourced from PubChem (CID 114992406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).