3-(2,5-dimethoxyphenyl)-3-hydroxypentanoic acid

C13H18O5 — CID 112501672

IUPAC3-(2,5-dimethoxyphenyl)-3-hydroxypentanoic acid
SMILESCCC(O)(CC(=O)O)c1cc(OC)ccc1OC
InChIInChI=1S/C13H18O5/c1-4-13(16,8-12(14)15)10-7-9(17-2)5-6-11(10)18-3/h5-7,16H,4,8H2,1-3H3,(H,14,15)
InChIKeyIEPLNFGSEASYMZ-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.78
Rot. Bonds6

About 3-(2,5-dimethoxyphenyl)-3-hydroxypentanoic acid

3-(2,5-dimethoxyphenyl)-3-hydroxypentanoic acid (PubChem CID 112501672) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-3-hydroxypentanoic acid.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-3-hydroxypentanoic acid
PubChem CID112501672
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name3-(2,5-dimethoxyphenyl)-3-hydroxypentanoic acid
SMILESCCC(O)(CC(=O)O)c1cc(OC)ccc1OC
InChIInChI=1S/C13H18O5/c1-4-13(16,8-12(14)15)10-7-9(17-2)5-6-11(10)18-3/h5-7,16H,4,8H2,1-3H3,(H,14,15)
InChIKeyIEPLNFGSEASYMZ-UHFFFAOYSA-N
XLogP1.78
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(2,5-dimethoxyphenyl)-3-hydroxybutanoic acid
CID 36690985
3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)pentanoic acid
CID 82049543
3-(2,4-dimethoxyphenyl)pentan-3-ol
CID 62801128
3-(3-bromo-4-methoxyphenyl)-3-hydroxypentanoic acid
CID 82050101
3-(2,5-dimethoxyphenyl)-3-pyrrolidin-1-ylbutanoic acid
CID 64528718
3-hydroxy-3-(2-methoxy-4,5-dimethylphenyl)hexanoic acid
CID 112507698
2-(diethylamino)-2-(2,5-dimethoxyphenyl)propanoic acid
CID 43803580
3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-3-ethylpentanoic acid
CID 120688752
3-(2-methoxy-5-methylphenyl)pentan-3-ol
CID 62796425
3-(2-bromo-5-methoxyphenyl)pentan-3-ol
CID 72942483
3-(2-amino-5-methoxyphenyl)pentan-3-ol
CID 67269604
1-(2,4-dimethoxyphenyl)-2-ethyl-2-hydroxybutan-1-one
CID 103446903

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-3-hydroxypentanoic acid?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-3-hydroxypentanoic acid (CID 112501672) is 3-(2,5-dimethoxyphenyl)-3-hydroxypentanoic acid.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-3-hydroxypentanoic acid?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-3-hydroxypentanoic acid is CCC(O)(CC(=O)O)c1cc(OC)ccc1OC.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-3-hydroxypentanoic acid?
The InChIKey is IEPLNFGSEASYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c1-4-13(16,8-12(14)15)10-7-9(17-2)5-6-11(10)18-3/h5-7,16H,4,8H2,1-3H3,(H,14,15).
What are the key properties of 3-(2,5-dimethoxyphenyl)-3-hydroxypentanoic acid?
3-(2,5-dimethoxyphenyl)-3-hydroxypentanoic acid has a molecular weight of 254.28 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-3-hydroxypentanoic acid is sourced from PubChem (CID 112501672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).