3-hydroxy-2,2-dimethyl-3-(4-propan-2-yloxyphenyl)butanoic acid

C15H22O4 — CID 55071473

IUPAC3-hydroxy-2,2-dimethyl-3-(4-propan-2-yloxyphenyl)butanoic acid
SMILESCC(C)Oc1ccc(C(C)(O)C(C)(C)C(=O)O)cc1
InChIInChI=1S/C15H22O4/c1-10(2)19-12-8-6-11(7-9-12)15(5,18)14(3,4)13(16)17/h6-10,18H,1-5H3,(H,16,17)
InChIKeyGZJVRJIIBTYQCE-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.79
Rot. Bonds5

About 3-hydroxy-2,2-dimethyl-3-(4-propan-2-yloxyphenyl)butanoic acid

3-hydroxy-2,2-dimethyl-3-(4-propan-2-yloxyphenyl)butanoic acid (PubChem CID 55071473) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-hydroxy-2,2-dimethyl-3-(4-propan-2-yloxyphenyl)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2,2-dimethyl-3-(4-propan-2-yloxyphenyl)butanoic acid
PubChem CID55071473
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name3-hydroxy-2,2-dimethyl-3-(4-propan-2-yloxyphenyl)butanoic acid
SMILESCC(C)Oc1ccc(C(C)(O)C(C)(C)C(=O)O)cc1
InChIInChI=1S/C15H22O4/c1-10(2)19-12-8-6-11(7-9-12)15(5,18)14(3,4)13(16)17/h6-10,18H,1-5H3,(H,16,17)
InChIKeyGZJVRJIIBTYQCE-UHFFFAOYSA-N
XLogP2.79
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(4-propan-2-yloxyphenyl)propanoic acid
CID 24692906
2,2,3,3-tetramethyl-4,4-bis(4-propan-2-yloxyphenyl)hexanedioic acid
CID 19013093
3-hydroxy-2,2-dimethyl-3-phenylbutanoic acid
CID 12570468
1-phenyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 62795392
2-hydroxy-2-methyl-3-(4-propan-2-yloxyanilino)propanoic acid
CID 104643867
1-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 62796946
2-morpholin-4-yl-2-(4-propan-2-yloxyphenyl)propanoic acid
CID 43803260
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-propan-2-yloxyphenyl)propanoic acid
CID 127263628
[4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenyl] 2,2-dimethylpropanoate
CID 118043540
2-[ethyl(formyl)amino]-2-(4-propan-2-yloxyphenyl)propanoic acid
CID 63688316
N-[(2R)-2-hydroxy-2-phenylpropyl]-4-propan-2-yloxybenzamide
CID 95367999
4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenol
CID 21466220

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2-dimethyl-3-(4-propan-2-yloxyphenyl)butanoic acid?
The IUPAC name of 3-hydroxy-2,2-dimethyl-3-(4-propan-2-yloxyphenyl)butanoic acid (CID 55071473) is 3-hydroxy-2,2-dimethyl-3-(4-propan-2-yloxyphenyl)butanoic acid.
What is the SMILES notation for 3-hydroxy-2,2-dimethyl-3-(4-propan-2-yloxyphenyl)butanoic acid?
The canonical SMILES for 3-hydroxy-2,2-dimethyl-3-(4-propan-2-yloxyphenyl)butanoic acid is CC(C)Oc1ccc(C(C)(O)C(C)(C)C(=O)O)cc1.
What is the InChIKey of 3-hydroxy-2,2-dimethyl-3-(4-propan-2-yloxyphenyl)butanoic acid?
The InChIKey is GZJVRJIIBTYQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-10(2)19-12-8-6-11(7-9-12)15(5,18)14(3,4)13(16)17/h6-10,18H,1-5H3,(H,16,17).
What are the key properties of 3-hydroxy-2,2-dimethyl-3-(4-propan-2-yloxyphenyl)butanoic acid?
3-hydroxy-2,2-dimethyl-3-(4-propan-2-yloxyphenyl)butanoic acid has a molecular weight of 266.34 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2-dimethyl-3-(4-propan-2-yloxyphenyl)butanoic acid is sourced from PubChem (CID 55071473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).