6-phenyloctan-3-one

C14H20O — CID 83936524

IUPAC6-phenyloctan-3-one
SMILESCCC(=O)CCC(CC)c1ccccc1
InChIInChI=1S/C14H20O/c1-3-12(10-11-14(15)4-2)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3
InChIKeyZBHBCSQXUUCGKB-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.94
Rot. Bonds6

About 6-phenyloctan-3-one

6-phenyloctan-3-one (PubChem CID 83936524) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 6-phenyloctan-3-one.

Molecular Properties

Compound Name6-phenyloctan-3-one
PubChem CID83936524
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name6-phenyloctan-3-one
SMILESCCC(=O)CCC(CC)c1ccccc1
InChIInChI=1S/C14H20O/c1-3-12(10-11-14(15)4-2)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3
InChIKeyZBHBCSQXUUCGKB-UHFFFAOYSA-N
XLogP3.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(3-hydroxyphenyl)octan-3-one
CID 83930268
2-methyl-6-phenyloctan-3-one
CID 157318832
propan-2-yl 4-phenylhexanoate
CID 144552078
1-(2,6-dihydroxyphenyl)-4-phenylhexan-1-one
CID 140936055
6-(3,4-difluorophenyl)octan-3-one
CID 83936173
(3R)-1,3-diphenylpentan-1-one
CID 11042799
barium(2+);bis(16-phenyloctadecanoate)
CID 101320100
ethane;3-phenylpentanoic acid
CID 142147200
6-(3,4-dipropoxyphenyl)octan-3-one
CID 83931984
4-(3,11-diphenyltetradecan-7-yl)benzoic acid
CID 134941596
2-(aminomethyl)-5-phenylheptanoic acid
CID 69271345
3-[methyl(2-phenylbutyl)amino]propanoic acid
CID 122037378

Frequently Asked Questions

What is the IUPAC name of 6-phenyloctan-3-one?
The IUPAC name of 6-phenyloctan-3-one (CID 83936524) is 6-phenyloctan-3-one.
What is the SMILES notation for 6-phenyloctan-3-one?
The canonical SMILES for 6-phenyloctan-3-one is CCC(=O)CCC(CC)c1ccccc1.
What is the InChIKey of 6-phenyloctan-3-one?
The InChIKey is ZBHBCSQXUUCGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-3-12(10-11-14(15)4-2)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3.
What are the key properties of 6-phenyloctan-3-one?
6-phenyloctan-3-one has a molecular weight of 204.31 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyloctan-3-one is sourced from PubChem (CID 83936524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).