2-methyl-6-phenyloctan-3-one

C15H22O — CID 157318832

IUPAC2-methyl-6-phenyloctan-3-one
SMILESCCC(CCC(=O)C(C)C)c1ccccc1
InChIInChI=1S/C15H22O/c1-4-13(10-11-15(16)12(2)3)14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3
InChIKeyVUUIIRZPARFKBA-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.19
Rot. Bonds6

About 2-methyl-6-phenyloctan-3-one

2-methyl-6-phenyloctan-3-one (PubChem CID 157318832) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-methyl-6-phenyloctan-3-one.

Molecular Properties

Compound Name2-methyl-6-phenyloctan-3-one
PubChem CID157318832
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2-methyl-6-phenyloctan-3-one
SMILESCCC(CCC(=O)C(C)C)c1ccccc1
InChIInChI=1S/C15H22O/c1-4-13(10-11-15(16)12(2)3)14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3
InChIKeyVUUIIRZPARFKBA-UHFFFAOYSA-N
XLogP4.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-phenyloctan-3-one
CID 83936524
propan-2-yl 4-phenylhexanoate
CID 144552078
1-(2,6-dihydroxyphenyl)-4-phenylhexan-1-one
CID 140936055
5-phenylheptan-2-amine
CID 83936540
2-(aminomethyl)-5-phenylheptanoic acid
CID 69271345
2-hydroxy-6-phenylundecan-3-one
CID 139924429
(2R,4R)-2-methyl-4-phenylhexanoic acid
CID 134848322
barium(2+);bis(16-phenyloctadecanoate)
CID 101320100
ethane;3-phenylpentanoic acid
CID 142147200
1-(5-phenylheptan-2-yl)-4-propan-2-ylbenzene
CID 58836420
1-amino-5-methyl-1-phenylheptan-4-one
CID 116570769
azane;pentan-3-ylbenzene
CID 19774895

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenyloctan-3-one?
The IUPAC name of 2-methyl-6-phenyloctan-3-one (CID 157318832) is 2-methyl-6-phenyloctan-3-one.
What is the SMILES notation for 2-methyl-6-phenyloctan-3-one?
The canonical SMILES for 2-methyl-6-phenyloctan-3-one is CCC(CCC(=O)C(C)C)c1ccccc1.
What is the InChIKey of 2-methyl-6-phenyloctan-3-one?
The InChIKey is VUUIIRZPARFKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-4-13(10-11-15(16)12(2)3)14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3.
What are the key properties of 2-methyl-6-phenyloctan-3-one?
2-methyl-6-phenyloctan-3-one has a molecular weight of 218.34 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenyloctan-3-one is sourced from PubChem (CID 157318832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).