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

C14H20O4 — CID 82049543

IUPAC3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)pentanoic acid
SMILESCCC(O)(CC(=O)O)c1cc(C)c(OC)cc1C
InChIInChI=1S/C14H20O4/c1-5-14(17,8-13(15)16)11-6-10(3)12(18-4)7-9(11)2/h6-7,17H,5,8H2,1-4H3,(H,15,16)
InChIKeyPEZKHRSLGQRJOF-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.38
Rot. Bonds5

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

3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)pentanoic acid (PubChem CID 82049543) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)pentanoic acid.

Molecular Properties

Compound Name3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)pentanoic acid
PubChem CID82049543
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)pentanoic acid
SMILESCCC(O)(CC(=O)O)c1cc(C)c(OC)cc1C
InChIInChI=1S/C14H20O4/c1-5-14(17,8-13(15)16)11-6-10(3)12(18-4)7-9(11)2/h6-7,17H,5,8H2,1-4H3,(H,15,16)
InChIKeyPEZKHRSLGQRJOF-UHFFFAOYSA-N
XLogP2.38
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-3-(2-methoxy-4,5-dimethylphenyl)hexanoic acid
CID 112507698
4-(4-methoxy-2,5-dimethylphenyl)heptan-4-ol
CID 114866082
3-(2,5-dimethoxyphenyl)-3-hydroxypentanoic acid
CID 112501672
3-(4-methoxy-2,5-dimethylphenyl)-3-methylbutan-2-one
CID 82286345
3-(4-ethoxy-2,5-dimethylphenyl)-3-methylbutanoic acid
CID 82087443
3-(3-bromo-4-methoxyphenyl)-3-hydroxypentanoic acid
CID 82050101
3,3-difluoro-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid
CID 116839856
1-tert-butyl-4-methoxy-2,5-dimethylbenzene
CID 23345325
3-methoxy-2-(4-methoxy-2,5-dimethylphenyl)-3-methylbutan-2-ol
CID 114228362
3,3-difluoro-3-(2,4,5-trimethylphenyl)propanoic acid
CID 116838380
3-hydroxy-3-(4-methylphenyl)pentanoic acid
CID 62395934
3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid
CID 82366763

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)pentanoic acid?
The IUPAC name of 3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)pentanoic acid (CID 82049543) is 3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)pentanoic acid.
What is the SMILES notation for 3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)pentanoic acid?
The canonical SMILES for 3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)pentanoic acid is CCC(O)(CC(=O)O)c1cc(C)c(OC)cc1C.
What is the InChIKey of 3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)pentanoic acid?
The InChIKey is PEZKHRSLGQRJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-5-14(17,8-13(15)16)11-6-10(3)12(18-4)7-9(11)2/h6-7,17H,5,8H2,1-4H3,(H,15,16).
What are the key properties of 3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)pentanoic acid?
3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)pentanoic acid has a molecular weight of 252.31 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)pentanoic acid is sourced from PubChem (CID 82049543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).