6-methyl-6-phenyloctan-4-one

C15H22O — CID 142684027

IUPAC6-methyl-6-phenyloctan-4-one
SMILESCCCC(=O)CC(C)(CC)c1ccccc1
InChIInChI=1S/C15H22O/c1-4-9-14(16)12-15(3,5-2)13-10-7-6-8-11-13/h6-8,10-11H,4-5,9,12H2,1-3H3
InChIKeyBJLBQQYLXCZWMS-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.11
Rot. Bonds6

About 6-methyl-6-phenyloctan-4-one

6-methyl-6-phenyloctan-4-one (PubChem CID 142684027) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 6-methyl-6-phenyloctan-4-one.

Molecular Properties

Compound Name6-methyl-6-phenyloctan-4-one
PubChem CID142684027
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name6-methyl-6-phenyloctan-4-one
SMILESCCCC(=O)CC(C)(CC)c1ccccc1
InChIInChI=1S/C15H22O/c1-4-9-14(16)12-15(3,5-2)13-10-7-6-8-11-13/h6-8,10-11H,4-5,9,12H2,1-3H3
InChIKeyBJLBQQYLXCZWMS-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-methyl-1,3-diphenylpentan-1-one
CID 102205590
ethane;3-methylpentan-3-ylbenzene
CID 90745317
2-hydroxy-2-phenylhexan-3-one
CID 3696245
2-amino-2-phenylhexan-3-one
CID 116563859
5-hydroxy-1,5-diphenylhexan-3-one
CID 46888754
(2,4-dimethyl-4-phenylhexan-2-yl)benzene;ethane
CID 90935976
1,15-dihydroxy-3,13-dimethyl-3,13-diphenylpentadecan-8-one
CID 23431379
carbonic acid;1-phenylpropane-1,1-diol
CID 158239997
N-(2-methyl-2-phenylbutyl)formamide
CID 149429107
2-phenylpropan-2-yl 2,2-dimethylbutanoate
CID 18730969
2-methyl-2-phenylbutanethioic S-acid
CID 87854025
[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene
CID 18739287

Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-phenyloctan-4-one?
The IUPAC name of 6-methyl-6-phenyloctan-4-one (CID 142684027) is 6-methyl-6-phenyloctan-4-one.
What is the SMILES notation for 6-methyl-6-phenyloctan-4-one?
The canonical SMILES for 6-methyl-6-phenyloctan-4-one is CCCC(=O)CC(C)(CC)c1ccccc1.
What is the InChIKey of 6-methyl-6-phenyloctan-4-one?
The InChIKey is BJLBQQYLXCZWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-4-9-14(16)12-15(3,5-2)13-10-7-6-8-11-13/h6-8,10-11H,4-5,9,12H2,1-3H3.
What are the key properties of 6-methyl-6-phenyloctan-4-one?
6-methyl-6-phenyloctan-4-one has a molecular weight of 218.34 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-phenyloctan-4-one is sourced from PubChem (CID 142684027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).