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

C22H28O3 — CID 23377158

IUPAC2,2-bis(4-tert-butylphenyl)-2-hydroxyacetic acid
SMILESCC(C)(C)c1ccc(C(O)(C(=O)O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H28O3/c1-20(2,3)15-7-11-17(12-8-15)22(25,19(23)24)18-13-9-16(10-14-18)21(4,5)6/h7-14,25H,1-6H3,(H,23,24)
InChIKeyGVEYBOHLJGCNFZ-UHFFFAOYSA-N
MW340.46 g/mol
LogP4.60
Rot. Bonds3

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

2,2-bis(4-tert-butylphenyl)-2-hydroxyacetic acid (PubChem CID 23377158) has the molecular formula C22H28O3 and a molecular weight of 340.46 g/mol. Its IUPAC name is 2,2-bis(4-tert-butylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2,2-bis(4-tert-butylphenyl)-2-hydroxyacetic acid
PubChem CID23377158
Molecular FormulaC22H28O3
Molecular Weight340.46 g/mol
Exact Mass340.20
IUPAC Name2,2-bis(4-tert-butylphenyl)-2-hydroxyacetic acid
SMILESCC(C)(C)c1ccc(C(O)(C(=O)O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H28O3/c1-20(2,3)15-7-11-17(12-8-15)22(25,19(23)24)18-13-9-16(10-14-18)21(4,5)6/h7-14,25H,1-6H3,(H,23,24)
InChIKeyGVEYBOHLJGCNFZ-UHFFFAOYSA-N
XLogP4.60
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
CID 161419410
CID 161419410
3-(4-tert-butylphenyl)-2,2-difluoro-3-hydroxybutanoic acid
CID 62398242
CID 67550053
CID 67550053
copper 4-tert-butylbenzoic acid
CID 54604773
4-tert-butylbenzoic acid;copper
CID 67780260
CID 157428380
CID 157428380
3-(4-tert-butylphenyl)-2,2-dimethyl-3-oxopropanoic acid
CID 116918052
CID 175176965
CID 175176965
acetic acid;1-tert-butyl-4-iodobenzene
CID 172850232
2-[(4-tert-butylphenyl)methyl]-2-ethylbutanoic acid
CID 63402911
(2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid
CID 21123439

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-tert-butylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2,2-bis(4-tert-butylphenyl)-2-hydroxyacetic acid (CID 23377158) is 2,2-bis(4-tert-butylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2,2-bis(4-tert-butylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2,2-bis(4-tert-butylphenyl)-2-hydroxyacetic acid is CC(C)(C)c1ccc(C(O)(C(=O)O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2,2-bis(4-tert-butylphenyl)-2-hydroxyacetic acid?
The InChIKey is GVEYBOHLJGCNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O3/c1-20(2,3)15-7-11-17(12-8-15)22(25,19(23)24)18-13-9-16(10-14-18)21(4,5)6/h7-14,25H,1-6H3,(H,23,24).
What are the key properties of 2,2-bis(4-tert-butylphenyl)-2-hydroxyacetic acid?
2,2-bis(4-tert-butylphenyl)-2-hydroxyacetic acid has a molecular weight of 340.46 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-tert-butylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 23377158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).