2-methyl-2-(2-propoxyphenyl)propanoic acid

C13H18O3 — CID 104662391

IUPAC2-methyl-2-(2-propoxyphenyl)propanoic acid
SMILESCCCOc1ccccc1C(C)(C)C(=O)O
InChIInChI=1S/C13H18O3/c1-4-9-16-11-8-6-5-7-10(11)13(2,3)12(14)15/h5-8H,4,9H2,1-3H3,(H,14,15)
InChIKeyGDDYQOFAKZENHI-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.84
Rot. Bonds5

About 2-methyl-2-(2-propoxyphenyl)propanoic acid

2-methyl-2-(2-propoxyphenyl)propanoic acid (PubChem CID 104662391) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-methyl-2-(2-propoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2-propoxyphenyl)propanoic acid
PubChem CID104662391
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-methyl-2-(2-propoxyphenyl)propanoic acid
SMILESCCCOc1ccccc1C(C)(C)C(=O)O
InChIInChI=1S/C13H18O3/c1-4-9-16-11-8-6-5-7-10(11)13(2,3)12(14)15/h5-8H,4,9H2,1-3H3,(H,14,15)
InChIKeyGDDYQOFAKZENHI-UHFFFAOYSA-N
XLogP2.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-propoxyphenyl)propan-2-yl]prop-2-enamide
CID 172814435
1-(4-fluorophenyl)-1-(2-propoxyphenyl)ethanol
CID 104658477
2,2-dimethyl-1-(2-propoxyphenyl)butan-1-one
CID 115800819
2-amino-3,3,3-trifluoro-2-methyl-1-(2-propoxyphenyl)propan-1-one
CID 116592907
phenyl-(2-propoxyphenyl)methanone
CID 15556308
1-cyclohexyl-1-(2-propoxyphenyl)ethanol
CID 114794929
2-(2-ethoxyphenyl)-2-(propylamino)propanoic acid
CID 43754018
2-(2-tert-butylphenoxy)ethylcarbamic acid
CID 118869764
2-ethylsulfanyl-1-(2-propoxyphenyl)ethanone
CID 104659274
1-(2-bromophenyl)-1-(2-propoxyphenyl)ethanamine
CID 104659022
1-tert-butyl-2-heptoxybenzene
CID 64763672
2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide
CID 114327800

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-propoxyphenyl)propanoic acid?
The IUPAC name of 2-methyl-2-(2-propoxyphenyl)propanoic acid (CID 104662391) is 2-methyl-2-(2-propoxyphenyl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(2-propoxyphenyl)propanoic acid?
The canonical SMILES for 2-methyl-2-(2-propoxyphenyl)propanoic acid is CCCOc1ccccc1C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-(2-propoxyphenyl)propanoic acid?
The InChIKey is GDDYQOFAKZENHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-4-9-16-11-8-6-5-7-10(11)13(2,3)12(14)15/h5-8H,4,9H2,1-3H3,(H,14,15).
What are the key properties of 2-methyl-2-(2-propoxyphenyl)propanoic acid?
2-methyl-2-(2-propoxyphenyl)propanoic acid has a molecular weight of 222.28 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-propoxyphenyl)propanoic acid is sourced from PubChem (CID 104662391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).