4-(4-tert-butylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid

C16H24O3 — CID 65298089

IUPAC4-(4-tert-butylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
SMILESCC(C)(CC(O)c1ccc(C(C)(C)C)cc1)C(=O)O
InChIInChI=1S/C16H24O3/c1-15(2,3)12-8-6-11(7-9-12)13(17)10-16(4,5)14(18)19/h6-9,13,17H,10H2,1-5H3,(H,18,19)
InChIKeyVHUVOTUXLLNSLR-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.52
Rot. Bonds4

About 4-(4-tert-butylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid

4-(4-tert-butylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid (PubChem CID 65298089) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
PubChem CID65298089
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name4-(4-tert-butylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
SMILESCC(C)(CC(O)c1ccc(C(C)(C)C)cc1)C(=O)O
InChIInChI=1S/C16H24O3/c1-15(2,3)12-8-6-11(7-9-12)13(17)10-16(4,5)14(18)19/h6-9,13,17H,10H2,1-5H3,(H,18,19)
InChIKeyVHUVOTUXLLNSLR-UHFFFAOYSA-N
XLogP3.52
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-hydroxy-2,2-dimethyl-4-phenylbutanoic acid
CID 95562171
4-(4-ethylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 65297591
(1R,3R)-1,3-bis(4-tert-butylphenyl)propane-1,3-diol
CID 177450380
4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 65297695
1-(4-tert-butylphenyl)propan-1-ol
CID 3279311
1-butan-2-yl-4-tert-butylbenzene;2,2-dimethylbutanoic acid
CID 158163672
(1S)-2-bromo-1-(4-tert-butylphenyl)ethanol
CID 83000693
2-(4-tert-butylphenyl)-2-hydroxyacetic acid
CID 20532744
2-bromo-1-(4-tert-butylphenyl)ethanol
CID 79021934
4-[4-(5-carboxy-5-methylhexan-3-yl)phenyl]-2,2-dimethylhexanoic acid
CID 90345851
3-[4-[(1R)-1-hydroxypropyl]phenoxy]-2,2-dimethylpropanoic acid
CID 79624226
2-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]-methylamino]acetic acid
CID 82216044

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid?
The IUPAC name of 4-(4-tert-butylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid (CID 65298089) is 4-(4-tert-butylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-(4-tert-butylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-(4-tert-butylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid is CC(C)(CC(O)c1ccc(C(C)(C)C)cc1)C(=O)O.
What is the InChIKey of 4-(4-tert-butylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid?
The InChIKey is VHUVOTUXLLNSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-15(2,3)12-8-6-11(7-9-12)13(17)10-16(4,5)14(18)19/h6-9,13,17H,10H2,1-5H3,(H,18,19).
What are the key properties of 4-(4-tert-butylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid?
4-(4-tert-butylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid has a molecular weight of 264.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid is sourced from PubChem (CID 65298089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).