3-[4-(2-methylpropoxy)phenyl]-2-phenylpropanoic acid

C19H22O3 — CID 82160480

IUPAC3-[4-(2-methylpropoxy)phenyl]-2-phenylpropanoic acid
SMILESCC(C)COc1ccc(CC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C19H22O3/c1-14(2)13-22-17-10-8-15(9-11-17)12-18(19(20)21)16-6-4-3-5-7-16/h3-11,14,18H,12-13H2,1-2H3,(H,20,21)
InChIKeyHBMUFNUMSPGEGQ-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.13
Rot. Bonds7

About 3-[4-(2-methylpropoxy)phenyl]-2-phenylpropanoic acid

3-[4-(2-methylpropoxy)phenyl]-2-phenylpropanoic acid (PubChem CID 82160480) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-[4-(2-methylpropoxy)phenyl]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[4-(2-methylpropoxy)phenyl]-2-phenylpropanoic acid
PubChem CID82160480
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name3-[4-(2-methylpropoxy)phenyl]-2-phenylpropanoic acid
SMILESCC(C)COc1ccc(CC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C19H22O3/c1-14(2)13-22-17-10-8-15(9-11-17)12-18(19(20)21)16-6-4-3-5-7-16/h3-11,14,18H,12-13H2,1-2H3,(H,20,21)
InChIKeyHBMUFNUMSPGEGQ-UHFFFAOYSA-N
XLogP4.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethoxyphenyl)-2-phenylpropanoic acid
CID 20994053
3-[4-(2-methylpropoxy)phenyl]-2-naphthalen-1-ylpropanoic acid
CID 112720942
2-(3-fluoro-4-methylphenyl)-3-[4-(2-methylpropoxy)phenyl]propanoic acid
CID 83953745
2-(4-ethylphenyl)-3-[3-(2-methylpropoxy)phenyl]propanoic acid
CID 83953697
(2S)-2,3-diphenylpropanoic acid
CID 737125
(2R)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid
CID 120510362
(2S)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid
CID 120511819
3-[4-(4-bromophenoxy)phenyl]-2-phenylpropanoic acid
CID 20984736
3-[4-(hydroxymethyl)phenyl]-2-phenylpropanoic acid
CID 82160875
(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
CID 795470
sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid
CID 54612500
3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid
CID 22687022

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropoxy)phenyl]-2-phenylpropanoic acid?
The IUPAC name of 3-[4-(2-methylpropoxy)phenyl]-2-phenylpropanoic acid (CID 82160480) is 3-[4-(2-methylpropoxy)phenyl]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[4-(2-methylpropoxy)phenyl]-2-phenylpropanoic acid?
The canonical SMILES for 3-[4-(2-methylpropoxy)phenyl]-2-phenylpropanoic acid is CC(C)COc1ccc(CC(C(=O)O)c2ccccc2)cc1.
What is the InChIKey of 3-[4-(2-methylpropoxy)phenyl]-2-phenylpropanoic acid?
The InChIKey is HBMUFNUMSPGEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-14(2)13-22-17-10-8-15(9-11-17)12-18(19(20)21)16-6-4-3-5-7-16/h3-11,14,18H,12-13H2,1-2H3,(H,20,21).
What are the key properties of 3-[4-(2-methylpropoxy)phenyl]-2-phenylpropanoic acid?
3-[4-(2-methylpropoxy)phenyl]-2-phenylpropanoic acid has a molecular weight of 298.38 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropoxy)phenyl]-2-phenylpropanoic acid is sourced from PubChem (CID 82160480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).