5-(3,5-dihydroxyphenyl)-4-hydroxypentanoic acid

C11H14O5 — CID 52920333

IUPAC5-(3,5-dihydroxyphenyl)-4-hydroxypentanoic acid
SMILESO=C(O)CCC(O)Cc1cc(O)cc(O)c1
InChIInChI=1S/C11H14O5/c12-8(1-2-11(15)16)3-7-4-9(13)6-10(14)5-7/h4-6,8,12-14H,1-3H2,(H,15,16)
InChIKeyQKRQBODPNMXFLS-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.87
Rot. Bonds5

About 5-(3,5-dihydroxyphenyl)-4-hydroxypentanoic acid

5-(3,5-dihydroxyphenyl)-4-hydroxypentanoic acid (PubChem CID 52920333) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is 5-(3,5-dihydroxyphenyl)-4-hydroxypentanoic acid.

Molecular Properties

Compound Name5-(3,5-dihydroxyphenyl)-4-hydroxypentanoic acid
PubChem CID52920333
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name5-(3,5-dihydroxyphenyl)-4-hydroxypentanoic acid
SMILESO=C(O)CCC(O)Cc1cc(O)cc(O)c1
InChIInChI=1S/C11H14O5/c12-8(1-2-11(15)16)3-7-4-9(13)6-10(14)5-7/h4-6,8,12-14H,1-3H2,(H,15,16)
InChIKeyQKRQBODPNMXFLS-UHFFFAOYSA-N
XLogP0.87
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Dihydroxybenzoic Acid
CID 7424
3-(3'-Hydroxyphenyl)propionic acid
CID 91
3-(3-Hydroxyphenyl)-3-hydroxypropionic acid
CID 102959
Methyl 3,5-Dihydroxybenzoate
CID 75076
Benzoic acid, 3,5-dihydroxy-, ethyl ester
CID 20098
3-Hydroxymandelic acid
CID 86957
2-Hydroxy-2-(2-hydroxyphenyl)acetic acid
CID 161263
3,5-Dihydroxybenzyl alcohol
CID 34661
Methyl 3,5-dihydroxyphenylacetate
CID 579787
2,4-Dihydroxybenzenepropanoic acid
CID 96384
Oenostacin
CID 10199204
Meta-Hydroxyphenylhydracrylic acid
CID 22600106

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dihydroxyphenyl)-4-hydroxypentanoic acid?
The IUPAC name of 5-(3,5-dihydroxyphenyl)-4-hydroxypentanoic acid (CID 52920333) is 5-(3,5-dihydroxyphenyl)-4-hydroxypentanoic acid.
What is the SMILES notation for 5-(3,5-dihydroxyphenyl)-4-hydroxypentanoic acid?
The canonical SMILES for 5-(3,5-dihydroxyphenyl)-4-hydroxypentanoic acid is O=C(O)CCC(O)Cc1cc(O)cc(O)c1.
What is the InChIKey of 5-(3,5-dihydroxyphenyl)-4-hydroxypentanoic acid?
The InChIKey is QKRQBODPNMXFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c12-8(1-2-11(15)16)3-7-4-9(13)6-10(14)5-7/h4-6,8,12-14H,1-3H2,(H,15,16).
What are the key properties of 5-(3,5-dihydroxyphenyl)-4-hydroxypentanoic acid?
5-(3,5-dihydroxyphenyl)-4-hydroxypentanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.87, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dihydroxyphenyl)-4-hydroxypentanoic acid is sourced from PubChem (CID 52920333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).