2-[3-(2-phenylpropan-2-yloxy)phenyl]acetic acid

C17H18O3 — CID 69488903

IUPAC2-[3-(2-phenylpropan-2-yloxy)phenyl]acetic acid
SMILESCC(C)(Oc1cccc(CC(=O)O)c1)c1ccccc1
InChIInChI=1S/C17H18O3/c1-17(2,14-8-4-3-5-9-14)20-15-10-6-7-13(11-15)12-16(18)19/h3-11H,12H2,1-2H3,(H,18,19)
InChIKeyUSCQWWPSUQSJHQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.63
Rot. Bonds5

About 2-[3-(2-phenylpropan-2-yloxy)phenyl]acetic acid

2-[3-(2-phenylpropan-2-yloxy)phenyl]acetic acid (PubChem CID 69488903) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[3-(2-phenylpropan-2-yloxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-phenylpropan-2-yloxy)phenyl]acetic acid
PubChem CID69488903
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-[3-(2-phenylpropan-2-yloxy)phenyl]acetic acid
SMILESCC(C)(Oc1cccc(CC(=O)O)c1)c1ccccc1
InChIInChI=1S/C17H18O3/c1-17(2,14-8-4-3-5-9-14)20-15-10-6-7-13(11-15)12-16(18)19/h3-11H,12H2,1-2H3,(H,18,19)
InChIKeyUSCQWWPSUQSJHQ-UHFFFAOYSA-N
XLogP3.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2-fluoro-2-methylpropoxy)phenyl]acetic acid
CID 84690473
3-(2-phenylpropan-2-yloxy)phenol
CID 54130894
2-[3-(1,1-difluoro-2-methylpropoxy)phenyl]acetic acid
CID 70526950
1-[3-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one
CID 58044331
2-[3-(2,2-difluoropropoxy)phenyl]acetic acid
CID 84693368
2-[3-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetic acid
CID 61398227
2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]acetic acid
CID 164513589
2-(3-fluorooxyphenyl)acetic acid
CID 69494655
2-(3-trimethylsilyloxyphenyl)acetic acid
CID 167737399
2-[3-(difluoromethoxy)phenyl]-N-(2-hydroxy-2-phenylpropyl)acetamide
CID 111334767
(2S)-2-amino-2-[3-(carboxymethyl)phenyl]propanoic acid
CID 6604768
2-[3-(3-methoxyphenoxy)phenyl]acetic acid
CID 19421788

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-phenylpropan-2-yloxy)phenyl]acetic acid?
The IUPAC name of 2-[3-(2-phenylpropan-2-yloxy)phenyl]acetic acid (CID 69488903) is 2-[3-(2-phenylpropan-2-yloxy)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(2-phenylpropan-2-yloxy)phenyl]acetic acid?
The canonical SMILES for 2-[3-(2-phenylpropan-2-yloxy)phenyl]acetic acid is CC(C)(Oc1cccc(CC(=O)O)c1)c1ccccc1.
What is the InChIKey of 2-[3-(2-phenylpropan-2-yloxy)phenyl]acetic acid?
The InChIKey is USCQWWPSUQSJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-17(2,14-8-4-3-5-9-14)20-15-10-6-7-13(11-15)12-16(18)19/h3-11H,12H2,1-2H3,(H,18,19).
What are the key properties of 2-[3-(2-phenylpropan-2-yloxy)phenyl]acetic acid?
2-[3-(2-phenylpropan-2-yloxy)phenyl]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-phenylpropan-2-yloxy)phenyl]acetic acid is sourced from PubChem (CID 69488903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).