2-methyl-4-phenyldecan-5-one

C17H26O — CID 175352694

IUPAC2-methyl-4-phenyldecan-5-one
SMILESCCCCCC(=O)C(CC(C)C)c1ccccc1
InChIInChI=1S/C17H26O/c1-4-5-7-12-17(18)16(13-14(2)3)15-10-8-6-9-11-15/h6,8-11,14,16H,4-5,7,12-13H2,1-3H3
InChIKeyKIDAUSKCLPIHNI-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.97
Rot. Bonds8

About 2-methyl-4-phenyldecan-5-one

2-methyl-4-phenyldecan-5-one (PubChem CID 175352694) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-methyl-4-phenyldecan-5-one.

Molecular Properties

Compound Name2-methyl-4-phenyldecan-5-one
PubChem CID175352694
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name2-methyl-4-phenyldecan-5-one
SMILESCCCCCC(=O)C(CC(C)C)c1ccccc1
InChIInChI=1S/C17H26O/c1-4-5-7-12-17(18)16(13-14(2)3)15-10-8-6-9-11-15/h6,8-11,14,16H,4-5,7,12-13H2,1-3H3
InChIKeyKIDAUSKCLPIHNI-UHFFFAOYSA-N
XLogP4.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-phenyltetradecan-4-one
CID 114968845
1-amino-2-phenylundecan-3-one
CID 116566909
1-amino-1-phenylheptan-2-one
CID 116551276
(1S,2S)-1-hydroxy-2-methyl-1-phenylnonan-3-one
CID 102384202
1-chloro-1-phenyldecan-2-one
CID 81235866
1-chloro-1-phenylnonan-2-one
CID 81236884
4-methyl-2-phenylpentanoate
CID 22376993
3-(hexanoylamino)-2-phenylpropanoic acid
CID 62883847
(2S,3S)-3-methyl-2-phenyloctan-4-one
CID 100930567
cumene;octanoic acid
CID 174815768
2-methyl-3-phenyloctadec-1-en-4-one
CID 23168846
1-amino-2-phenylhexan-3-one
CID 116566947

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyldecan-5-one?
The IUPAC name of 2-methyl-4-phenyldecan-5-one (CID 175352694) is 2-methyl-4-phenyldecan-5-one.
What is the SMILES notation for 2-methyl-4-phenyldecan-5-one?
The canonical SMILES for 2-methyl-4-phenyldecan-5-one is CCCCCC(=O)C(CC(C)C)c1ccccc1.
What is the InChIKey of 2-methyl-4-phenyldecan-5-one?
The InChIKey is KIDAUSKCLPIHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-4-5-7-12-17(18)16(13-14(2)3)15-10-8-6-9-11-15/h6,8-11,14,16H,4-5,7,12-13H2,1-3H3.
What are the key properties of 2-methyl-4-phenyldecan-5-one?
2-methyl-4-phenyldecan-5-one has a molecular weight of 246.39 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyldecan-5-one is sourced from PubChem (CID 175352694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).