3-hydroxy-3-(2-methoxy-4,5-dimethylphenyl)hexanoic acid

C15H22O4 — CID 112507698

IUPAC3-hydroxy-3-(2-methoxy-4,5-dimethylphenyl)hexanoic acid
SMILESCCCC(O)(CC(=O)O)c1cc(C)c(C)cc1OC
InChIInChI=1S/C15H22O4/c1-5-6-15(18,9-14(16)17)12-7-10(2)11(3)8-13(12)19-4/h7-8,18H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyHLXWMUZGYCRCCG-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.77
Rot. Bonds6

About 3-hydroxy-3-(2-methoxy-4,5-dimethylphenyl)hexanoic acid

3-hydroxy-3-(2-methoxy-4,5-dimethylphenyl)hexanoic acid (PubChem CID 112507698) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-hydroxy-3-(2-methoxy-4,5-dimethylphenyl)hexanoic acid.

Molecular Properties

Compound Name3-hydroxy-3-(2-methoxy-4,5-dimethylphenyl)hexanoic acid
PubChem CID112507698
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name3-hydroxy-3-(2-methoxy-4,5-dimethylphenyl)hexanoic acid
SMILESCCCC(O)(CC(=O)O)c1cc(C)c(C)cc1OC
InChIInChI=1S/C15H22O4/c1-5-6-15(18,9-14(16)17)12-7-10(2)11(3)8-13(12)19-4/h7-8,18H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyHLXWMUZGYCRCCG-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)pentanoic acid
CID 82049543
4-(4-methoxy-2,5-dimethylphenyl)heptan-4-ol
CID 114866082
3-(2,5-dimethoxyphenyl)-3-hydroxypentanoic acid
CID 112501672
3-(3-bromo-4-methoxyphenyl)-3-hydroxypentanoic acid
CID 82050101
3-(4-ethoxy-2,5-dimethylphenyl)-3-methylbutanoic acid
CID 82087443
3,3-difluoro-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid
CID 116839856
3-(3-chloro-4-methoxy-2,6-dimethylphenyl)-3-methylbutanoic acid
CID 117430031
(3S)-3-(2,5-dimethoxyphenyl)-3-hydroxybutanoic acid
CID 36690985
3,3-difluoro-3-(2,4,5-trimethylphenyl)propanoic acid
CID 116838380
(2R)-2-(4-methoxy-3-methylphenyl)pentan-2-ol
CID 97294322
ethyl 2-amino-2-(5-chloro-2-methoxy-4-methylphenyl)butanoate
CID 3504992
3-(2,4-dimethoxy-6-methylphenyl)-3-methylbutanoic acid
CID 117384014

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(2-methoxy-4,5-dimethylphenyl)hexanoic acid?
The IUPAC name of 3-hydroxy-3-(2-methoxy-4,5-dimethylphenyl)hexanoic acid (CID 112507698) is 3-hydroxy-3-(2-methoxy-4,5-dimethylphenyl)hexanoic acid.
What is the SMILES notation for 3-hydroxy-3-(2-methoxy-4,5-dimethylphenyl)hexanoic acid?
The canonical SMILES for 3-hydroxy-3-(2-methoxy-4,5-dimethylphenyl)hexanoic acid is CCCC(O)(CC(=O)O)c1cc(C)c(C)cc1OC.
What is the InChIKey of 3-hydroxy-3-(2-methoxy-4,5-dimethylphenyl)hexanoic acid?
The InChIKey is HLXWMUZGYCRCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-5-6-15(18,9-14(16)17)12-7-10(2)11(3)8-13(12)19-4/h7-8,18H,5-6,9H2,1-4H3,(H,16,17).
What are the key properties of 3-hydroxy-3-(2-methoxy-4,5-dimethylphenyl)hexanoic acid?
3-hydroxy-3-(2-methoxy-4,5-dimethylphenyl)hexanoic acid has a molecular weight of 266.34 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(2-methoxy-4,5-dimethylphenyl)hexanoic acid is sourced from PubChem (CID 112507698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).