4-cyclohexyl-5-oxo-6-phenylhexanoic acid

C18H24O3 — CID 141190794

IUPAC4-cyclohexyl-5-oxo-6-phenylhexanoic acid
SMILESO=C(O)CCC(C(=O)Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C18H24O3/c19-17(13-14-7-3-1-4-8-14)16(11-12-18(20)21)15-9-5-2-6-10-15/h1,3-4,7-8,15-16H,2,5-6,9-13H2,(H,20,21)
InChIKeyPETWNWUJKSFOMQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.86
Rot. Bonds7

About 4-cyclohexyl-5-oxo-6-phenylhexanoic acid

4-cyclohexyl-5-oxo-6-phenylhexanoic acid (PubChem CID 141190794) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-cyclohexyl-5-oxo-6-phenylhexanoic acid.

Molecular Properties

Compound Name4-cyclohexyl-5-oxo-6-phenylhexanoic acid
PubChem CID141190794
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name4-cyclohexyl-5-oxo-6-phenylhexanoic acid
SMILESO=C(O)CCC(C(=O)Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C18H24O3/c19-17(13-14-7-3-1-4-8-14)16(11-12-18(20)21)15-9-5-2-6-10-15/h1,3-4,7-8,15-16H,2,5-6,9-13H2,(H,20,21)
InChIKeyPETWNWUJKSFOMQ-UHFFFAOYSA-N
XLogP3.86
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclooctylamino)-5-phenylpentanoic acid
CID 122046085
cyclohexanamine;2-phenylacetic acid
CID 70192288
4,4-dicyclohexylbutanoic acid
CID 19041232
4-[(2-cyclohexylacetyl)amino]-5-phenylpentanoic acid
CID 120546889
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
(1R)-1-cyclopentyl-2-phenylethanol
CID 39238299
2-(11-bicyclo[7.5.0]tetradecanyl)-N-hydroxy-3-phenylpropanamide
CID 155014131
(2R,3S)-2-benzyl-3-cyclohexyl-3-hydroxy-N-phenylpropanamide
CID 166439076
2-cyclohexyl-3-phenylpropan-1-ol
CID 82936977
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
2-hydroxy-3-oxo-4-phenylbutanoic acid
CID 151330520
3,3-dicyclohexylpropylbenzene
CID 86671113

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-5-oxo-6-phenylhexanoic acid?
The IUPAC name of 4-cyclohexyl-5-oxo-6-phenylhexanoic acid (CID 141190794) is 4-cyclohexyl-5-oxo-6-phenylhexanoic acid.
What is the SMILES notation for 4-cyclohexyl-5-oxo-6-phenylhexanoic acid?
The canonical SMILES for 4-cyclohexyl-5-oxo-6-phenylhexanoic acid is O=C(O)CCC(C(=O)Cc1ccccc1)C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-5-oxo-6-phenylhexanoic acid?
The InChIKey is PETWNWUJKSFOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c19-17(13-14-7-3-1-4-8-14)16(11-12-18(20)21)15-9-5-2-6-10-15/h1,3-4,7-8,15-16H,2,5-6,9-13H2,(H,20,21).
What are the key properties of 4-cyclohexyl-5-oxo-6-phenylhexanoic acid?
4-cyclohexyl-5-oxo-6-phenylhexanoic acid has a molecular weight of 288.39 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-5-oxo-6-phenylhexanoic acid is sourced from PubChem (CID 141190794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).