2-ethyl-2-hydroxy-3-[4-(2-methylpropyl)phenyl]butanoic acid

C16H24O3 — CID 79304173

IUPAC2-ethyl-2-hydroxy-3-[4-(2-methylpropyl)phenyl]butanoic acid
SMILESCCC(O)(C(=O)O)C(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C16H24O3/c1-5-16(19,15(17)18)12(4)14-8-6-13(7-9-14)10-11(2)3/h6-9,11-12,19H,5,10H2,1-4H3,(H,17,18)
InChIKeyJOKNJNDHXQBJSY-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.21
Rot. Bonds6

About 2-ethyl-2-hydroxy-3-[4-(2-methylpropyl)phenyl]butanoic acid

2-ethyl-2-hydroxy-3-[4-(2-methylpropyl)phenyl]butanoic acid (PubChem CID 79304173) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-ethyl-2-hydroxy-3-[4-(2-methylpropyl)phenyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-hydroxy-3-[4-(2-methylpropyl)phenyl]butanoic acid
PubChem CID79304173
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name2-ethyl-2-hydroxy-3-[4-(2-methylpropyl)phenyl]butanoic acid
SMILESCCC(O)(C(=O)O)C(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C16H24O3/c1-5-16(19,15(17)18)12(4)14-8-6-13(7-9-14)10-11(2)3/h6-9,11-12,19H,5,10H2,1-4H3,(H,17,18)
InChIKeyJOKNJNDHXQBJSY-UHFFFAOYSA-N
XLogP3.21
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 82290776
2-ethyl-2-hydroxy-3-(6-methoxynaphthalen-2-yl)butanoic acid
CID 79304708
CID 175760114
CID 175760114
Ibuprofen (sodium)
CID 45052535
(2R)-2-hydroxy-2-[4-(2-methylpropyl)phenyl]acetic acid
CID 45117198
3-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid
CID 45117186
2-[4-(2-methylpropyl)phenyl]butan-2-ol
CID 91656197
3,3-dimethyl-2-[4-[4-(2-methylpropyl)phenyl]phenyl]butanoic acid
CID 71065139
ethane;3-[4-(2-methylpropyl)phenyl]butan-2-one
CID 144564568
4-(2-methylpropyl)phenol;propanoic acid
CID 174874916
1-carboxyoxypropyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 166563144
CID 169425922
CID 169425922

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-hydroxy-3-[4-(2-methylpropyl)phenyl]butanoic acid?
The IUPAC name of 2-ethyl-2-hydroxy-3-[4-(2-methylpropyl)phenyl]butanoic acid (CID 79304173) is 2-ethyl-2-hydroxy-3-[4-(2-methylpropyl)phenyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-hydroxy-3-[4-(2-methylpropyl)phenyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-hydroxy-3-[4-(2-methylpropyl)phenyl]butanoic acid is CCC(O)(C(=O)O)C(C)c1ccc(CC(C)C)cc1.
What is the InChIKey of 2-ethyl-2-hydroxy-3-[4-(2-methylpropyl)phenyl]butanoic acid?
The InChIKey is JOKNJNDHXQBJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-5-16(19,15(17)18)12(4)14-8-6-13(7-9-14)10-11(2)3/h6-9,11-12,19H,5,10H2,1-4H3,(H,17,18).
What are the key properties of 2-ethyl-2-hydroxy-3-[4-(2-methylpropyl)phenyl]butanoic acid?
2-ethyl-2-hydroxy-3-[4-(2-methylpropyl)phenyl]butanoic acid has a molecular weight of 264.37 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-hydroxy-3-[4-(2-methylpropyl)phenyl]butanoic acid is sourced from PubChem (CID 79304173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).