6-oxo-5,5-diphenyloctanoic acid

C20H22O3 — CID 19981505

IUPAC6-oxo-5,5-diphenyloctanoic acid
SMILESCCC(=O)C(CCCC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22O3/c1-2-18(21)20(15-9-14-19(22)23,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13H,2,9,14-15H2,1H3,(H,22,23)
InChIKeyQVNJVDFHLVGJEY-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.21
Rot. Bonds8

About 6-oxo-5,5-diphenyloctanoic acid

6-oxo-5,5-diphenyloctanoic acid (PubChem CID 19981505) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 6-oxo-5,5-diphenyloctanoic acid.

Molecular Properties

Compound Name6-oxo-5,5-diphenyloctanoic acid
PubChem CID19981505
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name6-oxo-5,5-diphenyloctanoic acid
SMILESCCC(=O)C(CCCC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22O3/c1-2-18(21)20(15-9-14-19(22)23,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13H,2,9,14-15H2,1H3,(H,22,23)
InChIKeyQVNJVDFHLVGJEY-UHFFFAOYSA-N
XLogP4.21
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

phosphane;6,6,6-triphenylhexanoic acid
CID 175595654
(4R)-4-(dimethylamino)-7-oxo-6,6-diphenylnonanoic acid
CID 164732652
2,2-diphenylhexanamide;hydrochloride
CID 142429226
2-ethyl-2-phenyldecanedioic acid
CID 159619008
6-amino-5-methyl-5-phenylhexanoic acid
CID 146308084
1,1-dihydroxy-1-phenylbutan-2-one
CID 162740160
2,2-diphenylpentan-3-one
CID 70793023
(3R)-3-(dimethylamino)-6-oxo-5,5-diphenyloctanoic acid
CID 154665813
5-(4-chlorophenyl)-5-phenylhexanoic acid
CID 70553770
octadecanoic acid;2-phenylpropan-2-amine;hydrochloride
CID 175449619
5-methyl-5,7-diphenylheptanoic acid
CID 148740605
6-(dimethylamino)-4,4-diphenylheptan-3-one;ethane
CID 144673539

Frequently Asked Questions

What is the IUPAC name of 6-oxo-5,5-diphenyloctanoic acid?
The IUPAC name of 6-oxo-5,5-diphenyloctanoic acid (CID 19981505) is 6-oxo-5,5-diphenyloctanoic acid.
What is the SMILES notation for 6-oxo-5,5-diphenyloctanoic acid?
The canonical SMILES for 6-oxo-5,5-diphenyloctanoic acid is CCC(=O)C(CCCC(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-oxo-5,5-diphenyloctanoic acid?
The InChIKey is QVNJVDFHLVGJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-2-18(21)20(15-9-14-19(22)23,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13H,2,9,14-15H2,1H3,(H,22,23).
What are the key properties of 6-oxo-5,5-diphenyloctanoic acid?
6-oxo-5,5-diphenyloctanoic acid has a molecular weight of 310.39 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-5,5-diphenyloctanoic acid is sourced from PubChem (CID 19981505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).