methane;4-phenylbutylbenzene

C17H22 — CID 173386802

IUPACmethane;4-phenylbutylbenzene
SMILESC.c1ccc(CCCCc2ccccc2)cc1
InChIInChI=1S/C16H18.CH4/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;/h1-6,9-12H,7-8,13-14H2;1H4
InChIKeyVMFKWUYAEOMILI-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.89
Rot. Bonds5

About methane;4-phenylbutylbenzene

methane;4-phenylbutylbenzene (PubChem CID 173386802) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is methane;4-phenylbutylbenzene.

Molecular Properties

Compound Namemethane;4-phenylbutylbenzene
PubChem CID173386802
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Namemethane;4-phenylbutylbenzene
SMILESC.c1ccc(CCCCc2ccccc2)cc1
InChIInChI=1S/C16H18.CH4/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;/h1-6,9-12H,7-8,13-14H2;1H4
InChIKeyVMFKWUYAEOMILI-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-phenylbutylbenzene
CID 141301927
hafnium;4-phenylbutylbenzene
CID 175889972
1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095
pentylbenzene
CID 91255123
heptylbenzene
CID 91456779
benzene;2-phenylethylbenzene
CID 18982764
butylbenzene
CID 91440396
octylbenzene
CID 16607
7-iodoheptylbenzene
CID 14529673
pentadecane;pentadecylbenzene
CID 174970881
octacosylbenzene
CID 14228596

Frequently Asked Questions

What is the IUPAC name of methane;4-phenylbutylbenzene?
The IUPAC name of methane;4-phenylbutylbenzene (CID 173386802) is methane;4-phenylbutylbenzene.
What is the SMILES notation for methane;4-phenylbutylbenzene?
The canonical SMILES for methane;4-phenylbutylbenzene is C.c1ccc(CCCCc2ccccc2)cc1.
What is the InChIKey of methane;4-phenylbutylbenzene?
The InChIKey is VMFKWUYAEOMILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18.CH4/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;/h1-6,9-12H,7-8,13-14H2;1H4.
What are the key properties of methane;4-phenylbutylbenzene?
methane;4-phenylbutylbenzene has a molecular weight of 226.36 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-phenylbutylbenzene is sourced from PubChem (CID 173386802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).