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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Related Compounds

3-(2-hydroxyhexan-2-yl)phenol
CID 21280529
4-(2,4-dihydroxyphenyl)-4-hydroxypentanoic acid
CID 146586928
2-(3-hydroxyphenyl)-2-methylpentanoic acid
CID 150101497
4-hydroxy-1,4-diphenylpentan-1-one
CID 10634707
2-ethyl-3-hydroxy-3-(3-hydroxyphenyl)butanoic acid
CID 62399034
3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol
CID 20564680
3-(2-hydroxy-1-piperidin-4-ylpropan-2-yl)phenol
CID 105496580
3,3-bis(3-hydroxyphenyl)pentanediamide
CID 142654567
3-hydroxy-3-(3-hydroxyphenyl)-2-propan-2-ylbutanoic acid
CID 62398430
(E)-4-(3-hydroxyphenyl)-4-methylpent-2-enoic acid
CID 23439961
2-amino-2-(3-hydroxyphenyl)butanoic acid
CID 21079809
ethyl 4-(3-bromophenyl)-4-hydroxypentanoate
CID 66324035

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).