2-methyl-5-methylidene-2-phenylheptan-3-one

C15H20O — CID 66044807

IUPAC2-methyl-5-methylidene-2-phenylheptan-3-one
SMILESC=C(CC)CC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H20O/c1-5-12(2)11-14(16)15(3,4)13-9-7-6-8-10-13/h6-10H,2,5,11H2,1,3-4H3
InChIKeyRLCJLWXTPHVLFI-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.89
Rot. Bonds5

About 2-methyl-5-methylidene-2-phenylheptan-3-one

2-methyl-5-methylidene-2-phenylheptan-3-one (PubChem CID 66044807) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-methyl-5-methylidene-2-phenylheptan-3-one.

Molecular Properties

Compound Name2-methyl-5-methylidene-2-phenylheptan-3-one
PubChem CID66044807
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name2-methyl-5-methylidene-2-phenylheptan-3-one
SMILESC=C(CC)CC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H20O/c1-5-12(2)11-14(16)15(3,4)13-9-7-6-8-10-13/h6-10H,2,5,11H2,1,3-4H3
InChIKeyRLCJLWXTPHVLFI-UHFFFAOYSA-N
XLogP3.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-5-methylidene-2-phenylheptan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-diphenylpentan-3-one
CID 70793023
2-methyl-2-phenylhex-5-yn-3-one
CID 63084664
2,3-dimethyl-3-phenylbutanoic acid;2-methyl-2-phenylpentan-3-one
CID 159710699
2-methyl-N-(2-methylprop-2-enyl)-2-phenylpropanamide
CID 114618287
CID 91481469
CID 91481469
1,1-dihydroxy-1-phenylbutan-2-one
CID 162740160
2-methyl-N-(3-oxopentan-2-yl)-2-phenylpropanamide
CID 64991894
(2R)-1-hydroxy-2-methyl-2-phenylpentan-3-one
CID 101403805
N-(3,3-dimethyl-2-oxobutyl)-2-methyl-2-phenylpropanamide
CID 64991414
6-methylidene-3-phenyloctan-4-one
CID 115781087
5-ethyl-2-methyl-5-phenylhept-1-en-4-one
CID 79179964
magnesium;hydride;2-methyl-2-phenylpropanoic acid
CID 174669783

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylidene-2-phenylheptan-3-one?
The IUPAC name of 2-methyl-5-methylidene-2-phenylheptan-3-one (CID 66044807) is 2-methyl-5-methylidene-2-phenylheptan-3-one.
What is the SMILES notation for 2-methyl-5-methylidene-2-phenylheptan-3-one?
The canonical SMILES for 2-methyl-5-methylidene-2-phenylheptan-3-one is C=C(CC)CC(=O)C(C)(C)c1ccccc1.
What is the InChIKey of 2-methyl-5-methylidene-2-phenylheptan-3-one?
The InChIKey is RLCJLWXTPHVLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-5-12(2)11-14(16)15(3,4)13-9-7-6-8-10-13/h6-10H,2,5,11H2,1,3-4H3.
What are the key properties of 2-methyl-5-methylidene-2-phenylheptan-3-one?
2-methyl-5-methylidene-2-phenylheptan-3-one has a molecular weight of 216.32 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylidene-2-phenylheptan-3-one is sourced from PubChem (CID 66044807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).