2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid

C18H20O2 — CID 82092601

IUPAC2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid
SMILESCCc1ccc(C(Cc2ccc(C)cc2)C(=O)O)cc1
InChIInChI=1S/C18H20O2/c1-3-14-8-10-16(11-9-14)17(18(19)20)12-15-6-4-13(2)5-7-15/h4-11,17H,3,12H2,1-2H3,(H,19,20)
InChIKeySIHCOYUYAFALEC-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.97
Rot. Bonds5

About 2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid

2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid (PubChem CID 82092601) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid
PubChem CID82092601
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid
SMILESCCc1ccc(C(Cc2ccc(C)cc2)C(=O)O)cc1
InChIInChI=1S/C18H20O2/c1-3-14-8-10-16(11-9-14)17(18(19)20)12-15-6-4-13(2)5-7-15/h4-11,17H,3,12H2,1-2H3,(H,19,20)
InChIKeySIHCOYUYAFALEC-UHFFFAOYSA-N
XLogP3.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-ethylphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83953187
3-[4-(hydroxymethyl)phenyl]-2-(4-methylphenyl)propanoic acid
CID 82160685
2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid
CID 82093362
3-(3-chloro-4-hydroxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83952274
3-(4-ethylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 83953183
2-(3-hydroxyphenyl)-3-(4-methylphenyl)propanoic acid
CID 83955052
2,3-bis(4-methylphenyl)propanehydrazide
CID 70580652
2-(3-bromophenyl)-3-(4-ethylphenyl)propanoic acid
CID 79441100
2-(4-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
CID 83955211
3-(2,5-dimethylphenyl)-2-(4-methylphenyl)propanoic acid
CID 79435899
1,5-bis(4-methylphenyl)-2,4-dipyridin-4-ylpentan-3-one
CID 150059098
3-(3-bromo-4-methoxyphenyl)-2-(4-methylphenyl)propanoic acid
CID 79432064

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid?
The IUPAC name of 2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid (CID 82092601) is 2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid.
What is the SMILES notation for 2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid?
The canonical SMILES for 2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid is CCc1ccc(C(Cc2ccc(C)cc2)C(=O)O)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid?
The InChIKey is SIHCOYUYAFALEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-3-14-8-10-16(11-9-14)17(18(19)20)12-15-6-4-13(2)5-7-15/h4-11,17H,3,12H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid?
2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid has a molecular weight of 268.36 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid is sourced from PubChem (CID 82092601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).