3-[2-(2-methylpropoxy)phenyl]propanoic acid

C13H18O3 — CID 82161462

IUPAC3-[2-(2-methylpropoxy)phenyl]propanoic acid
SMILESCC(C)COc1ccccc1CCC(=O)O
InChIInChI=1S/C13H18O3/c1-10(2)9-16-12-6-4-3-5-11(12)7-8-13(14)15/h3-6,10H,7-9H2,1-2H3,(H,14,15)
InChIKeyXDRGPDOZIUMYTP-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.74
Rot. Bonds6

About 3-[2-(2-methylpropoxy)phenyl]propanoic acid

3-[2-(2-methylpropoxy)phenyl]propanoic acid (PubChem CID 82161462) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 3-[2-(2-methylpropoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-methylpropoxy)phenyl]propanoic acid
PubChem CID82161462
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name3-[2-(2-methylpropoxy)phenyl]propanoic acid
SMILESCC(C)COc1ccccc1CCC(=O)O
InChIInChI=1S/C13H18O3/c1-10(2)9-16-12-6-4-3-5-11(12)7-8-13(14)15/h3-6,10H,7-9H2,1-2H3,(H,14,15)
InChIKeyXDRGPDOZIUMYTP-UHFFFAOYSA-N
XLogP2.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2-fluoropropoxy)phenyl]propanoic acid
CID 84614665
3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid
CID 21253509
3-[2-[2-(2-methylphenoxy)ethoxy]phenyl]propanoic acid
CID 22683637
1-(2-methylpropoxy)-2-[2-[2-[2-(2-methylpropoxy)phenyl]ethoxy]ethyl]benzene
CID 141096920
1-[2-(2-methylpropoxy)phenyl]propan-2-ol
CID 82161419
4-[2-(2-methylpropoxy)phenyl]butan-1-amine
CID 83932463
3-[2-[2,3-di(propan-2-yl)phenoxy]phenyl]propanoic acid
CID 57261152
3-[2-ethyl-4-(2-methylpropoxy)phenyl]propanoic acid
CID 82551979
2,6-bis(2-methylpropoxy)benzoic acid
CID 15219087
3-(2-chlorophenyl)-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 17179049
2-[2-(2-methylpentoxy)phenyl]acetic acid
CID 80740774
2-methylpropyl 3-[2-[3-(2-methylpropoxy)-3-oxopropyl]phenyl]propanoate
CID 146794559

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylpropoxy)phenyl]propanoic acid?
The IUPAC name of 3-[2-(2-methylpropoxy)phenyl]propanoic acid (CID 82161462) is 3-[2-(2-methylpropoxy)phenyl]propanoic acid.
What is the SMILES notation for 3-[2-(2-methylpropoxy)phenyl]propanoic acid?
The canonical SMILES for 3-[2-(2-methylpropoxy)phenyl]propanoic acid is CC(C)COc1ccccc1CCC(=O)O.
What is the InChIKey of 3-[2-(2-methylpropoxy)phenyl]propanoic acid?
The InChIKey is XDRGPDOZIUMYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-10(2)9-16-12-6-4-3-5-11(12)7-8-13(14)15/h3-6,10H,7-9H2,1-2H3,(H,14,15).
What are the key properties of 3-[2-(2-methylpropoxy)phenyl]propanoic acid?
3-[2-(2-methylpropoxy)phenyl]propanoic acid has a molecular weight of 222.28 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylpropoxy)phenyl]propanoic acid is sourced from PubChem (CID 82161462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).