2-(4-tert-butylphenyl)-2-hydroxyacetic acid

C12H16O3 — CID 20532744

IUPAC2-(4-tert-butylphenyl)-2-hydroxyacetic acid
SMILESCC(C)(C)c1ccc(C(O)C(=O)O)cc1
InChIInChI=1S/C12H16O3/c1-12(2,3)9-6-4-8(5-7-9)10(13)11(14)15/h4-7,10,13H,1-3H3,(H,14,15)
InChIKeyIKGNOKOCRNFREN-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.10
Rot. Bonds2

About 2-(4-tert-butylphenyl)-2-hydroxyacetic acid

2-(4-tert-butylphenyl)-2-hydroxyacetic acid (PubChem CID 20532744) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-2-hydroxyacetic acid
PubChem CID20532744
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-(4-tert-butylphenyl)-2-hydroxyacetic acid
SMILESCC(C)(C)c1ccc(C(O)C(=O)O)cc1
InChIInChI=1S/C12H16O3/c1-12(2,3)9-6-4-8(5-7-9)10(13)11(14)15/h4-7,10,13H,1-3H3,(H,14,15)
InChIKeyIKGNOKOCRNFREN-UHFFFAOYSA-N
XLogP2.10
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

magnesium;2-(4-tert-butylphenyl)propanedioic acid;hydride
CID 174967969
ethyl (2S)-2-(4-tert-butylphenyl)-2-hydroxyacetate
CID 94376486
1,2-bis(4-tert-butylphenyl)ethane-1,2-diol
CID 21199328
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetic acid;methyl 2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetate
CID 160817658
(2R)-2-(4-tert-butylphenyl)-3-hydroxypropanoic acid
CID 129412348
2-hydroxy-2-phenylacetic acid;2-hydroxy-2-phenylpropanoic acid
CID 22438373
(2R)-2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid
CID 86327385
(2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid
CID 785083
acetic acid;2-hydroxy-2-phenylacetic acid
CID 67499056
CID 70480259
CID 70480259

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(4-tert-butylphenyl)-2-hydroxyacetic acid (CID 20532744) is 2-(4-tert-butylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(4-tert-butylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(4-tert-butylphenyl)-2-hydroxyacetic acid is CC(C)(C)c1ccc(C(O)C(=O)O)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-2-hydroxyacetic acid?
The InChIKey is IKGNOKOCRNFREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-12(2,3)9-6-4-8(5-7-9)10(13)11(14)15/h4-7,10,13H,1-3H3,(H,14,15).
What are the key properties of 2-(4-tert-butylphenyl)-2-hydroxyacetic acid?
2-(4-tert-butylphenyl)-2-hydroxyacetic acid has a molecular weight of 208.26 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 20532744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).