4-hydroxy-4-(4-phenoxyphenyl)butanoic acid

C16H16O4 — CID 43209399

IUPAC4-hydroxy-4-(4-phenoxyphenyl)butanoic acid
SMILESO=C(O)CCC(O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H16O4/c17-15(10-11-16(18)19)12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-9,15,17H,10-11H2,(H,18,19)
InChIKeyCONLLGKQHQSQPA-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.38
Rot. Bonds6

About 4-hydroxy-4-(4-phenoxyphenyl)butanoic acid

4-hydroxy-4-(4-phenoxyphenyl)butanoic acid (PubChem CID 43209399) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-hydroxy-4-(4-phenoxyphenyl)butanoic acid.

Molecular Properties

Compound Name4-hydroxy-4-(4-phenoxyphenyl)butanoic acid
PubChem CID43209399
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name4-hydroxy-4-(4-phenoxyphenyl)butanoic acid
SMILESO=C(O)CCC(O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H16O4/c17-15(10-11-16(18)19)12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-9,15,17H,10-11H2,(H,18,19)
InChIKeyCONLLGKQHQSQPA-UHFFFAOYSA-N
XLogP3.38
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-amino-4-(4-phenoxyphenyl)butanoic acid
CID 28744353
4-hydroxy-4-(4-methoxyphenyl)butanoic acid
CID 4193826
(1S)-2-amino-1-(4-phenoxyphenyl)ethanol
CID 39247565
3-(4-phenoxyphenyl)pentanedioic acid
CID 170564926
3-[4-(4-phenoxyphenoxy)phenyl]butanoic acid
CID 70842776
4-hydroxy-4-[4-(thiophen-2-ylmethoxy)phenyl]butanoic acid
CID 25178168
[2-hydroxy-2-(4-phenoxyphenyl)ethyl] methanesulfonate
CID 23290257
4-[4-(4-aminophenyl)phenyl]-4-hydroxybutanoic acid
CID 21437925
(5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid
CID 28945621
2-(4-fluorophenyl)-1-(4-phenoxyphenyl)ethanol
CID 142628862
2-(4-phenoxyphenyl)propanoic acid
CID 527817
3-[4-[(4-phenoxyphenyl)methyl]phenyl]propanoic acid
CID 11659982

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(4-phenoxyphenyl)butanoic acid?
The IUPAC name of 4-hydroxy-4-(4-phenoxyphenyl)butanoic acid (CID 43209399) is 4-hydroxy-4-(4-phenoxyphenyl)butanoic acid.
What is the SMILES notation for 4-hydroxy-4-(4-phenoxyphenyl)butanoic acid?
The canonical SMILES for 4-hydroxy-4-(4-phenoxyphenyl)butanoic acid is O=C(O)CCC(O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-hydroxy-4-(4-phenoxyphenyl)butanoic acid?
The InChIKey is CONLLGKQHQSQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c17-15(10-11-16(18)19)12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-9,15,17H,10-11H2,(H,18,19).
What are the key properties of 4-hydroxy-4-(4-phenoxyphenyl)butanoic acid?
4-hydroxy-4-(4-phenoxyphenyl)butanoic acid has a molecular weight of 272.30 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(4-phenoxyphenyl)butanoic acid is sourced from PubChem (CID 43209399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).