2-[3-(4-methoxyphenyl)phenyl]-2-methylpropanoic acid

C17H18O3 — CID 39232920

IUPAC2-[3-(4-methoxyphenyl)phenyl]-2-methylpropanoic acid
SMILESCOc1ccc(-c2cccc(C(C)(C)C(=O)O)c2)cc1
InChIInChI=1S/C17H18O3/c1-17(2,16(18)19)14-6-4-5-13(11-14)12-7-9-15(20-3)10-8-12/h4-11H,1-3H3,(H,18,19)
InChIKeyZQGOIMKCYKLENA-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.72
Rot. Bonds4

About 2-[3-(4-methoxyphenyl)phenyl]-2-methylpropanoic acid

2-[3-(4-methoxyphenyl)phenyl]-2-methylpropanoic acid (PubChem CID 39232920) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)phenyl]-2-methylpropanoic acid
PubChem CID39232920
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-[3-(4-methoxyphenyl)phenyl]-2-methylpropanoic acid
SMILESCOc1ccc(-c2cccc(C(C)(C)C(=O)O)c2)cc1
InChIInChI=1S/C17H18O3/c1-17(2,16(18)19)14-6-4-5-13(11-14)12-7-9-15(20-3)10-8-12/h4-11H,1-3H3,(H,18,19)
InChIKeyZQGOIMKCYKLENA-UHFFFAOYSA-N
XLogP3.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514248
2-[4-(3-chlorophenyl)phenyl]-2-methylpropanoic acid
CID 10236331
(E)-3-[3-(4-methoxyphenyl)phenyl]prop-2-enoic acid
CID 11161124
2-methoxy-6-phenylnaphthalene
CID 11253308
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
(2S)-3-[3-(4-methoxyphenyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 154815453
3-(2-carboxypropan-2-yl)benzoic acid
CID 19965411
2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetic acid
CID 22575053
2-(3-methoxyphenyl)-2-methylpropanedioic acid
CID 83536911
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
2-methyl-2-(3-trimethylsilyloxyphenyl)propanoic acid
CID 167726391
2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-(3-phenylphenyl)propan-1-ol
CID 166059803

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[3-(4-methoxyphenyl)phenyl]-2-methylpropanoic acid (CID 39232920) is 2-[3-(4-methoxyphenyl)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[3-(4-methoxyphenyl)phenyl]-2-methylpropanoic acid is COc1ccc(-c2cccc(C(C)(C)C(=O)O)c2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)phenyl]-2-methylpropanoic acid?
The InChIKey is ZQGOIMKCYKLENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-17(2,16(18)19)14-6-4-5-13(11-14)12-7-9-15(20-3)10-8-12/h4-11H,1-3H3,(H,18,19).
What are the key properties of 2-[3-(4-methoxyphenyl)phenyl]-2-methylpropanoic acid?
2-[3-(4-methoxyphenyl)phenyl]-2-methylpropanoic acid has a molecular weight of 270.33 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 39232920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).