4-hydroxy-4-(3-hydroxyphenyl)pentanoic acid

C11H14O4 — CID 66323839

IUPAC4-hydroxy-4-(3-hydroxyphenyl)pentanoic acid
SMILESCC(O)(CCC(=O)O)c1cccc(O)c1
InChIInChI=1S/C11H14O4/c1-11(15,6-5-10(13)14)8-3-2-4-9(12)7-8/h2-4,7,12,15H,5-6H2,1H3,(H,13,14)
InChIKeyPKCFRPGSUZAQFG-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.46
Rot. Bonds4

About 4-hydroxy-4-(3-hydroxyphenyl)pentanoic acid

4-hydroxy-4-(3-hydroxyphenyl)pentanoic acid (PubChem CID 66323839) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-hydroxy-4-(3-hydroxyphenyl)pentanoic acid.

Molecular Properties

Compound Name4-hydroxy-4-(3-hydroxyphenyl)pentanoic acid
PubChem CID66323839
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name4-hydroxy-4-(3-hydroxyphenyl)pentanoic acid
SMILESCC(O)(CCC(=O)O)c1cccc(O)c1
InChIInChI=1S/C11H14O4/c1-11(15,6-5-10(13)14)8-3-2-4-9(12)7-8/h2-4,7,12,15H,5-6H2,1H3,(H,13,14)
InChIKeyPKCFRPGSUZAQFG-UHFFFAOYSA-N
XLogP1.46
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(3-hydroxyphenyl)pentanoic acid?
The IUPAC name of 4-hydroxy-4-(3-hydroxyphenyl)pentanoic acid (CID 66323839) is 4-hydroxy-4-(3-hydroxyphenyl)pentanoic acid.
What is the SMILES notation for 4-hydroxy-4-(3-hydroxyphenyl)pentanoic acid?
The canonical SMILES for 4-hydroxy-4-(3-hydroxyphenyl)pentanoic acid is CC(O)(CCC(=O)O)c1cccc(O)c1.
What is the InChIKey of 4-hydroxy-4-(3-hydroxyphenyl)pentanoic acid?
The InChIKey is PKCFRPGSUZAQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-11(15,6-5-10(13)14)8-3-2-4-9(12)7-8/h2-4,7,12,15H,5-6H2,1H3,(H,13,14).
What are the key properties of 4-hydroxy-4-(3-hydroxyphenyl)pentanoic acid?
4-hydroxy-4-(3-hydroxyphenyl)pentanoic acid has a molecular weight of 210.23 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(3-hydroxyphenyl)pentanoic acid is sourced from PubChem (CID 66323839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).