3-(2,4-dimethylphenyl)-3-hydroxy-2-propan-2-ylbutanoic acid

C15H22O3 — CID 62398844

IUPAC3-(2,4-dimethylphenyl)-3-hydroxy-2-propan-2-ylbutanoic acid
SMILESCc1ccc(C(C)(O)C(C(=O)O)C(C)C)c(C)c1
InChIInChI=1S/C15H22O3/c1-9(2)13(14(16)17)15(5,18)12-7-6-10(3)8-11(12)4/h6-9,13,18H,1-5H3,(H,16,17)
InChIKeyZFXVSVLXZFUYCJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.87
Rot. Bonds4

About 3-(2,4-dimethylphenyl)-3-hydroxy-2-propan-2-ylbutanoic acid

3-(2,4-dimethylphenyl)-3-hydroxy-2-propan-2-ylbutanoic acid (PubChem CID 62398844) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-3-hydroxy-2-propan-2-ylbutanoic acid.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-3-hydroxy-2-propan-2-ylbutanoic acid
PubChem CID62398844
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name3-(2,4-dimethylphenyl)-3-hydroxy-2-propan-2-ylbutanoic acid
SMILESCc1ccc(C(C)(O)C(C(=O)O)C(C)C)c(C)c1
InChIInChI=1S/C15H22O3/c1-9(2)13(14(16)17)15(5,18)12-7-6-10(3)8-11(12)4/h6-9,13,18H,1-5H3,(H,16,17)
InChIKeyZFXVSVLXZFUYCJ-UHFFFAOYSA-N
XLogP2.87
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-dimethylphenyl)-3-hydroxy-2-propan-2-ylbutanoic acid
CID 62399045
3-hydroxy-3-naphthalen-1-yl-2-propan-2-ylbutanoic acid
CID 62399048
2-(2,4-dimethylphenyl)-2-hydroxypropanal
CID 66040527
2-amino-2-(2,4-dimethylphenyl)propanoic acid;hydrochloride
CID 82128471
3-hydroxy-3-(3-hydroxyphenyl)-2-propan-2-ylbutanoic acid
CID 62398430
(2,4-dimethylphenyl)-bis(4-methylphenyl)methanol
CID 54297310
1-[1,1-bis(2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene
CID 19090109
methyl 2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate
CID 62214661
3-hydroxy-2-propan-2-yl-3-[3-(trifluoromethyl)phenyl]butanoic acid
CID 62397829
[2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid
CID 115171380
1-(2,4-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 62802991
methyl 3-hydroxy-2-propan-2-yl-3-(2,4,6-trimethylphenyl)butanoate
CID 62395638

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-3-hydroxy-2-propan-2-ylbutanoic acid?
The IUPAC name of 3-(2,4-dimethylphenyl)-3-hydroxy-2-propan-2-ylbutanoic acid (CID 62398844) is 3-(2,4-dimethylphenyl)-3-hydroxy-2-propan-2-ylbutanoic acid.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-3-hydroxy-2-propan-2-ylbutanoic acid?
The canonical SMILES for 3-(2,4-dimethylphenyl)-3-hydroxy-2-propan-2-ylbutanoic acid is Cc1ccc(C(C)(O)C(C(=O)O)C(C)C)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-3-hydroxy-2-propan-2-ylbutanoic acid?
The InChIKey is ZFXVSVLXZFUYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-9(2)13(14(16)17)15(5,18)12-7-6-10(3)8-11(12)4/h6-9,13,18H,1-5H3,(H,16,17).
What are the key properties of 3-(2,4-dimethylphenyl)-3-hydroxy-2-propan-2-ylbutanoic acid?
3-(2,4-dimethylphenyl)-3-hydroxy-2-propan-2-ylbutanoic acid has a molecular weight of 250.34 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-3-hydroxy-2-propan-2-ylbutanoic acid is sourced from PubChem (CID 62398844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).