6-(3,5-diphenylphenoxy)hexanoic acid

C24H24O3 — CID 18987245

IUPAC6-(3,5-diphenylphenoxy)hexanoic acid
SMILESO=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C24H24O3/c25-24(26)14-8-3-9-15-27-23-17-21(19-10-4-1-5-11-19)16-22(18-23)20-12-6-2-7-13-20/h1-2,4-7,10-13,16-18H,3,8-9,14-15H2,(H,25,26)
InChIKeyAFKQVFCQSVEIDD-UHFFFAOYSA-N
MW360.45 g/mol
LogP6.04
Rot. Bonds9

About 6-(3,5-diphenylphenoxy)hexanoic acid

6-(3,5-diphenylphenoxy)hexanoic acid (PubChem CID 18987245) has the molecular formula C24H24O3 and a molecular weight of 360.45 g/mol. Its IUPAC name is 6-(3,5-diphenylphenoxy)hexanoic acid.

Molecular Properties

Compound Name6-(3,5-diphenylphenoxy)hexanoic acid
PubChem CID18987245
Molecular FormulaC24H24O3
Molecular Weight360.45 g/mol
Exact Mass360.17
IUPAC Name6-(3,5-diphenylphenoxy)hexanoic acid
SMILESO=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C24H24O3/c25-24(26)14-8-3-9-15-27-23-17-21(19-10-4-1-5-11-19)16-22(18-23)20-12-6-2-7-13-20/h1-2,4-7,10-13,16-18H,3,8-9,14-15H2,(H,25,26)
InChIKeyAFKQVFCQSVEIDD-UHFFFAOYSA-N
XLogP6.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.45
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(4-phenylphenoxy)nonanoic acid
CID 66874790
9-phenoxynonanoic acid
CID 15887638
7-naphthalen-2-yloxyheptanoic acid
CID 39371628
1,1'-biphenyl;decanedioic acid;hydrazine
CID 159076350
11-(3,5-dihydroxyphenoxy)undecanoic acid
CID 42626374
7-(4-phenylmethoxyphenoxy)heptanoic acid
CID 66930866
8-(4-phenylmethoxyphenoxy)octanoic acid
CID 67165389
9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid
CID 18795798
4-[2-(2-carboxyethyl)-3-[6-(3-phenyl-5-pyrimidin-5-ylphenoxy)hexyl]phenoxy]butanoic acid
CID 46888197
8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid
CID 172994915
4-[2-(2-carboxyethyl)-3-[6-(3-phenyl-5-phenylmethoxyphenoxy)hexyl]phenoxy]butanoic acid
CID 46928984
5-(4-phenylmethoxyphenoxy)pentanoic acid
CID 11695119

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-diphenylphenoxy)hexanoic acid?
The IUPAC name of 6-(3,5-diphenylphenoxy)hexanoic acid (CID 18987245) is 6-(3,5-diphenylphenoxy)hexanoic acid.
What is the SMILES notation for 6-(3,5-diphenylphenoxy)hexanoic acid?
The canonical SMILES for 6-(3,5-diphenylphenoxy)hexanoic acid is O=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of 6-(3,5-diphenylphenoxy)hexanoic acid?
The InChIKey is AFKQVFCQSVEIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O3/c25-24(26)14-8-3-9-15-27-23-17-21(19-10-4-1-5-11-19)16-22(18-23)20-12-6-2-7-13-20/h1-2,4-7,10-13,16-18H,3,8-9,14-15H2,(H,25,26).
What are the key properties of 6-(3,5-diphenylphenoxy)hexanoic acid?
6-(3,5-diphenylphenoxy)hexanoic acid has a molecular weight of 360.45 g/mol, XLogP of 6.04, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-diphenylphenoxy)hexanoic acid is sourced from PubChem (CID 18987245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).