4-(4-hydroxy-2-phenoxyphenoxy)butanoic acid

C16H16O5 — CID 66972127

IUPAC4-(4-hydroxy-2-phenoxyphenoxy)butanoic acid
SMILESO=C(O)CCCOc1ccc(O)cc1Oc1ccccc1
InChIInChI=1S/C16H16O5/c17-12-8-9-14(20-10-4-7-16(18)19)15(11-12)21-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,17H,4,7,10H2,(H,18,19)
InChIKeyZYWOZPWXIBAJCD-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.43
Rot. Bonds7

About 4-(4-hydroxy-2-phenoxyphenoxy)butanoic acid

4-(4-hydroxy-2-phenoxyphenoxy)butanoic acid (PubChem CID 66972127) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-(4-hydroxy-2-phenoxyphenoxy)butanoic acid.

Molecular Properties

Compound Name4-(4-hydroxy-2-phenoxyphenoxy)butanoic acid
PubChem CID66972127
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name4-(4-hydroxy-2-phenoxyphenoxy)butanoic acid
SMILESO=C(O)CCCOc1ccc(O)cc1Oc1ccccc1
InChIInChI=1S/C16H16O5/c17-12-8-9-14(20-10-4-7-16(18)19)15(11-12)21-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,17H,4,7,10H2,(H,18,19)
InChIKeyZYWOZPWXIBAJCD-UHFFFAOYSA-N
XLogP3.43
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid
CID 18795798
3,4-diphenoxybenzoic acid
CID 70590459
3,4-bis(4-phenylbutoxy)phenol
CID 146326357
3-(2-phenoxyphenoxy)propan-1-ol
CID 54477263
9-phenoxynonanoic acid
CID 15887638
2-(3-carboxypropoxy)benzoic acid
CID 14661645
5-hydroxy-2-phenoxybenzaldehyde
CID 125464703
4-[3-(4-chlorophenoxy)-2-methylphenoxy]butanoic acid
CID 175360450
4-(4-chloronaphthalen-1-yl)oxybutanoic acid
CID 43351513
3-[2-ethyl-4-[(2R)-4-(4-methyl-2-phenoxyphenoxy)butan-2-yl]oxyphenyl]propanoic acid
CID 58753990
11-(2-hexyl-5-hydroxyphenoxy)undecanoic acid
CID 68915235
11-(2-methoxyphenoxy)undecanoic acid
CID 54541327

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2-phenoxyphenoxy)butanoic acid?
The IUPAC name of 4-(4-hydroxy-2-phenoxyphenoxy)butanoic acid (CID 66972127) is 4-(4-hydroxy-2-phenoxyphenoxy)butanoic acid.
What is the SMILES notation for 4-(4-hydroxy-2-phenoxyphenoxy)butanoic acid?
The canonical SMILES for 4-(4-hydroxy-2-phenoxyphenoxy)butanoic acid is O=C(O)CCCOc1ccc(O)cc1Oc1ccccc1.
What is the InChIKey of 4-(4-hydroxy-2-phenoxyphenoxy)butanoic acid?
The InChIKey is ZYWOZPWXIBAJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c17-12-8-9-14(20-10-4-7-16(18)19)15(11-12)21-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,17H,4,7,10H2,(H,18,19).
What are the key properties of 4-(4-hydroxy-2-phenoxyphenoxy)butanoic acid?
4-(4-hydroxy-2-phenoxyphenoxy)butanoic acid has a molecular weight of 288.30 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2-phenoxyphenoxy)butanoic acid is sourced from PubChem (CID 66972127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).