4-(2-ethoxy-5-methylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid

C15H22O4 — CID 65297696

IUPAC4-(2-ethoxy-5-methylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
SMILESCCOc1ccc(C)cc1C(O)CC(C)(C)C(=O)O
InChIInChI=1S/C15H22O4/c1-5-19-13-7-6-10(2)8-11(13)12(16)9-15(3,4)14(17)18/h6-8,12,16H,5,9H2,1-4H3,(H,17,18)
InChIKeyALPSLSLTJYFATE-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.93
Rot. Bonds6

About 4-(2-ethoxy-5-methylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid

4-(2-ethoxy-5-methylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid (PubChem CID 65297696) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(2-ethoxy-5-methylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-(2-ethoxy-5-methylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
PubChem CID65297696
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name4-(2-ethoxy-5-methylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
SMILESCCOc1ccc(C)cc1C(O)CC(C)(C)C(=O)O
InChIInChI=1S/C15H22O4/c1-5-19-13-7-6-10(2)8-11(13)12(16)9-15(3,4)14(17)18/h6-8,12,16H,5,9H2,1-4H3,(H,17,18)
InChIKeyALPSLSLTJYFATE-UHFFFAOYSA-N
XLogP2.93
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-2,2-dimethylpropanoic acid
CID 79629896
3-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-2,2-dimethylpropanoic acid
CID 79630091
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
(2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid
CID 7016959
1-(2-ethoxy-5-methylphenyl)-2-methyl-2-phenylpropan-1-ol
CID 62301322
methyl 5-(2-ethoxy-5-methylphenyl)-5-hydroxypentanoate
CID 82347110
3-(2-ethoxy-5-methylphenyl)pentanoic acid
CID 83958110
3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol
CID 63427299
4-amino-4-(2-ethoxy-5-methylphenyl)butanamide
CID 62301820
2-[bis(2-hydroxyethyl)amino]-1-(2-ethoxy-5-methylphenyl)ethanol
CID 82216742
3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 82366721
5-(2-ethoxy-5-methylphenyl)-5,5-difluoro-3-methylpentanoic acid
CID 62942204

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-5-methylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid?
The IUPAC name of 4-(2-ethoxy-5-methylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid (CID 65297696) is 4-(2-ethoxy-5-methylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-(2-ethoxy-5-methylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-(2-ethoxy-5-methylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid is CCOc1ccc(C)cc1C(O)CC(C)(C)C(=O)O.
What is the InChIKey of 4-(2-ethoxy-5-methylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid?
The InChIKey is ALPSLSLTJYFATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-5-19-13-7-6-10(2)8-11(13)12(16)9-15(3,4)14(17)18/h6-8,12,16H,5,9H2,1-4H3,(H,17,18).
What are the key properties of 4-(2-ethoxy-5-methylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid?
4-(2-ethoxy-5-methylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid has a molecular weight of 266.34 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-5-methylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid is sourced from PubChem (CID 65297696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).