methane;5-(4-methylphenyl)pentan-2-one

C13H20O — CID 159376155

IUPACmethane;5-(4-methylphenyl)pentan-2-one
SMILESC.CC(=O)CCCc1ccc(C)cc1
InChIInChI=1S/C12H16O.CH4/c1-10-6-8-12(9-7-10)5-3-4-11(2)13;/h6-9H,3-5H2,1-2H3;1H4
InChIKeyLKIMTITVCPIVOS-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.54
Rot. Bonds4

About methane;5-(4-methylphenyl)pentan-2-one

methane;5-(4-methylphenyl)pentan-2-one (PubChem CID 159376155) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is methane;5-(4-methylphenyl)pentan-2-one.

Molecular Properties

Compound Namemethane;5-(4-methylphenyl)pentan-2-one
PubChem CID159376155
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Namemethane;5-(4-methylphenyl)pentan-2-one
SMILESC.CC(=O)CCCc1ccc(C)cc1
InChIInChI=1S/C12H16O.CH4/c1-10-6-8-12(9-7-10)5-3-4-11(2)13;/h6-9H,3-5H2,1-2H3;1H4
InChIKeyLKIMTITVCPIVOS-UHFFFAOYSA-N
XLogP3.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;4-(4-methylphenyl)butan-2-one
CID 142847870
5-(4-butylphenyl)pentan-2-one;ethane
CID 143473141
5-phenylpentan-2-one
CID 16701
4-[4-(4-oxopentyl)phenyl]butylcarbamic acid
CID 91326870
ethyl 4-(4-methylphenyl)butanoate
CID 10013221
10-(4-methylphenyl)decanoic acid
CID 54262490
N,N-dimethyl-4-(4-oxopentyl)benzamide
CID 10988164
5-[4-(ethylamino)phenyl]pentan-2-one
CID 71063356
6-(4-methylphenyl)hexanethioic S-acid
CID 177221439
5-(4-methylphenyl)pentanoyl 5-(4-methylphenyl)pentanoate
CID 91119269
4-(4-methylphenyl)-1-piperazin-1-ylbutan-1-one
CID 82086276
6-[methyl-[(4-methylphenyl)methyl]amino]hexan-2-one
CID 62050969

Frequently Asked Questions

What is the IUPAC name of methane;5-(4-methylphenyl)pentan-2-one?
The IUPAC name of methane;5-(4-methylphenyl)pentan-2-one (CID 159376155) is methane;5-(4-methylphenyl)pentan-2-one.
What is the SMILES notation for methane;5-(4-methylphenyl)pentan-2-one?
The canonical SMILES for methane;5-(4-methylphenyl)pentan-2-one is C.CC(=O)CCCc1ccc(C)cc1.
What is the InChIKey of methane;5-(4-methylphenyl)pentan-2-one?
The InChIKey is LKIMTITVCPIVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O.CH4/c1-10-6-8-12(9-7-10)5-3-4-11(2)13;/h6-9H,3-5H2,1-2H3;1H4.
What are the key properties of methane;5-(4-methylphenyl)pentan-2-one?
methane;5-(4-methylphenyl)pentan-2-one has a molecular weight of 192.30 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-(4-methylphenyl)pentan-2-one is sourced from PubChem (CID 159376155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).