2-[4-(4-hydroxyphenyl)phenoxy]butanoic acid

C16H16O4 — CID 69203842

IUPAC2-[4-(4-hydroxyphenyl)phenoxy]butanoic acid
SMILESCCC(Oc1ccc(-c2ccc(O)cc2)cc1)C(=O)O
InChIInChI=1S/C16H16O4/c1-2-15(16(18)19)20-14-9-5-12(6-10-14)11-3-7-13(17)8-4-11/h3-10,15,17H,2H2,1H3,(H,18,19)
InChIKeyRNTPYXYYQFNFLL-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.30
Rot. Bonds5

About 2-[4-(4-hydroxyphenyl)phenoxy]butanoic acid

2-[4-(4-hydroxyphenyl)phenoxy]butanoic acid (PubChem CID 69203842) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[4-(4-hydroxyphenyl)phenoxy]butanoic acid.

Molecular Properties

Compound Name2-[4-(4-hydroxyphenyl)phenoxy]butanoic acid
PubChem CID69203842
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name2-[4-(4-hydroxyphenyl)phenoxy]butanoic acid
SMILESCCC(Oc1ccc(-c2ccc(O)cc2)cc1)C(=O)O
InChIInChI=1S/C16H16O4/c1-2-15(16(18)19)20-14-9-5-12(6-10-14)11-3-7-13(17)8-4-11/h3-10,15,17H,2H2,1H3,(H,18,19)
InChIKeyRNTPYXYYQFNFLL-UHFFFAOYSA-N
XLogP3.30
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-bromophenoxy)butanoic acid
CID 7832525
methyl 2-(4-hydroxyphenoxy)butanoate
CID 23513287
(2S)-2-(4-hydroxyphenoxy)-N-methylbutanamide
CID 69040097
2-[4-(1-hydroxyethyl)phenoxy]butanoic acid
CID 64661160
(2R)-2-(4-nitrophenoxy)butanoic acid
CID 7019234
(2R)-3-(4-hydroxyphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid
CID 54214369
benzyl (2S)-2-(4-phenylphenoxy)butanoate
CID 7672716
(E)-but-2-enedioic acid;2-phenoxybutanoic acid
CID 162331423
2-(3,4-difluorophenoxy)butanoic acid
CID 43808864
(2S)-2-[4-(2-aminopropanoyl)phenoxy]butanoic acid;hydrochloride
CID 67650862
(2R)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]butanoic acid;(2S)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]butanoic acid
CID 139204486
propan-2-yl (2S)-2-(4-phenylphenoxy)butanoate
CID 7672618

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxyphenyl)phenoxy]butanoic acid?
The IUPAC name of 2-[4-(4-hydroxyphenyl)phenoxy]butanoic acid (CID 69203842) is 2-[4-(4-hydroxyphenyl)phenoxy]butanoic acid.
What is the SMILES notation for 2-[4-(4-hydroxyphenyl)phenoxy]butanoic acid?
The canonical SMILES for 2-[4-(4-hydroxyphenyl)phenoxy]butanoic acid is CCC(Oc1ccc(-c2ccc(O)cc2)cc1)C(=O)O.
What is the InChIKey of 2-[4-(4-hydroxyphenyl)phenoxy]butanoic acid?
The InChIKey is RNTPYXYYQFNFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-2-15(16(18)19)20-14-9-5-12(6-10-14)11-3-7-13(17)8-4-11/h3-10,15,17H,2H2,1H3,(H,18,19).
What are the key properties of 2-[4-(4-hydroxyphenyl)phenoxy]butanoic acid?
2-[4-(4-hydroxyphenyl)phenoxy]butanoic acid has a molecular weight of 272.30 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxyphenyl)phenoxy]butanoic acid is sourced from PubChem (CID 69203842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).