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

C17H18O3 — CID 70029206

IUPAC3-[4-(2-methoxyphenyl)phenyl]-2-methylpropanoic acid
SMILESCOc1ccccc1-c1ccc(CC(C)C(=O)O)cc1
InChIInChI=1S/C17H18O3/c1-12(17(18)19)11-13-7-9-14(10-8-13)15-5-3-4-6-16(15)20-2/h3-10,12H,11H2,1-2H3,(H,18,19)
InChIKeyAPOUOFURJNBABD-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.63
Rot. Bonds5

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

3-[4-(2-methoxyphenyl)phenyl]-2-methylpropanoic acid (PubChem CID 70029206) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)phenyl]-2-methylpropanoic acid
PubChem CID70029206
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name3-[4-(2-methoxyphenyl)phenyl]-2-methylpropanoic acid
SMILESCOc1ccccc1-c1ccc(CC(C)C(=O)O)cc1
InChIInChI=1S/C17H18O3/c1-12(17(18)19)11-13-7-9-14(10-8-13)15-5-3-4-6-16(15)20-2/h3-10,12H,11H2,1-2H3,(H,18,19)
InChIKeyAPOUOFURJNBABD-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

(2S)-4-(3-carboxypropanoylamino)-5-[4-(2-methoxyphenyl)phenyl]-2-methylpentanoic acid
CID 68752507
bicyclo[2.2.0]hexa-1,3,5-triene;3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 175236429
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
ethyl (2S)-2-acetamido-3-[4-(2-methoxyphenyl)phenyl]propanoate
CID 139910489
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
calcium 2-methyl-3-phenylpropanoic acid
CID 51348696
bis[2-[4-(2-methylpropyl)phenyl]phenyl] carbonate
CID 66629489
2-[2-[[4-(4-chlorophenyl)-3-[4-(2-methoxyphenyl)phenyl]butan-2-yl]amino]-2-oxoethyl]butanedioic acid
CID 19073771
ethyl (2S)-2-[4-(2-methoxyphenyl)phenoxy]-3-phenylpropanoate
CID 71545342
3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878905
4-[[4-(2-methoxyphenyl)phenyl]methylamino]butanoic acid
CID 122035871
4-[[(4S)-5-ethoxy-1-[4-(2-methoxyphenyl)phenyl]-4-methyl-5-oxopentan-2-yl]amino]-4-oxobutanoic acid
CID 68753820

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)phenyl]-2-methylpropanoic acid?
The IUPAC name of 3-[4-(2-methoxyphenyl)phenyl]-2-methylpropanoic acid (CID 70029206) is 3-[4-(2-methoxyphenyl)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 3-[4-(2-methoxyphenyl)phenyl]-2-methylpropanoic acid is COc1ccccc1-c1ccc(CC(C)C(=O)O)cc1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)phenyl]-2-methylpropanoic acid?
The InChIKey is APOUOFURJNBABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-12(17(18)19)11-13-7-9-14(10-8-13)15-5-3-4-6-16(15)20-2/h3-10,12H,11H2,1-2H3,(H,18,19).
What are the key properties of 3-[4-(2-methoxyphenyl)phenyl]-2-methylpropanoic acid?
3-[4-(2-methoxyphenyl)phenyl]-2-methylpropanoic 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 3-[4-(2-methoxyphenyl)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 70029206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).