2-[3-(4-ethyl-2-methylphenyl)phenyl]-2-hydroxyacetic acid

C17H18O3 — CID 143366195

IUPAC2-[3-(4-ethyl-2-methylphenyl)phenyl]-2-hydroxyacetic acid
SMILESCCc1ccc(-c2cccc(C(O)C(=O)O)c2)c(C)c1
InChIInChI=1S/C17H18O3/c1-3-12-7-8-15(11(2)9-12)13-5-4-6-14(10-13)16(18)17(19)20/h4-10,16,18H,3H2,1-2H3,(H,19,20)
InChIKeyZAKBISLFFZULLK-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.34
Rot. Bonds4

About 2-[3-(4-ethyl-2-methylphenyl)phenyl]-2-hydroxyacetic acid

2-[3-(4-ethyl-2-methylphenyl)phenyl]-2-hydroxyacetic acid (PubChem CID 143366195) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[3-(4-ethyl-2-methylphenyl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[3-(4-ethyl-2-methylphenyl)phenyl]-2-hydroxyacetic acid
PubChem CID143366195
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-[3-(4-ethyl-2-methylphenyl)phenyl]-2-hydroxyacetic acid
SMILESCCc1ccc(-c2cccc(C(O)C(=O)O)c2)c(C)c1
InChIInChI=1S/C17H18O3/c1-3-12-7-8-15(11(2)9-12)13-5-4-6-14(10-13)16(18)17(19)20/h4-10,16,18H,3H2,1-2H3,(H,19,20)
InChIKeyZAKBISLFFZULLK-UHFFFAOYSA-N
XLogP3.34
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3-ethylphenyl)phenyl]propanoic acid
CID 176514342
2-(3-methyl-4-phenylphenyl)acetic acid
CID 18793942
3-(4-ethyl-3-methylphenyl)-2-methylpropanoic acid
CID 117295148
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
4-(4-ethylphenyl)-3-methylbenzoic acid
CID 53225239
acetic acid;2-hydroxy-2-phenylacetic acid
CID 67499056
(2R)-2-(3,4-diethylphenyl)-2-hydroxyacetic acid
CID 57059044
(2R)-2-hydroxy-2-phenylacetic acid;zinc
CID 57473641
(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 69001631
azane;2-hydroxy-2-phenylacetic acid
CID 23617102
(2R)-2-hydroxy-2-phenylacetic acid;rhodium
CID 174857137

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethyl-2-methylphenyl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[3-(4-ethyl-2-methylphenyl)phenyl]-2-hydroxyacetic acid (CID 143366195) is 2-[3-(4-ethyl-2-methylphenyl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[3-(4-ethyl-2-methylphenyl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[3-(4-ethyl-2-methylphenyl)phenyl]-2-hydroxyacetic acid is CCc1ccc(-c2cccc(C(O)C(=O)O)c2)c(C)c1.
What is the InChIKey of 2-[3-(4-ethyl-2-methylphenyl)phenyl]-2-hydroxyacetic acid?
The InChIKey is ZAKBISLFFZULLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-3-12-7-8-15(11(2)9-12)13-5-4-6-14(10-13)16(18)17(19)20/h4-10,16,18H,3H2,1-2H3,(H,19,20).
What are the key properties of 2-[3-(4-ethyl-2-methylphenyl)phenyl]-2-hydroxyacetic acid?
2-[3-(4-ethyl-2-methylphenyl)phenyl]-2-hydroxyacetic acid has a molecular weight of 270.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethyl-2-methylphenyl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 143366195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).