[2-butyl-6-(2-methylphenyl)phenyl]phosphane

C17H21P — CID 154051164

IUPAC[2-butyl-6-(2-methylphenyl)phenyl]phosphane
SMILESCCCCc1cccc(-c2ccccc2C)c1P
InChIInChI=1S/C17H21P/c1-3-4-9-14-10-7-12-16(17(14)18)15-11-6-5-8-13(15)2/h5-8,10-12H,3-4,9,18H2,1-2H3
InChIKeyXMULKHJIGKBXBO-UHFFFAOYSA-N
MW256.33 g/mol
LogP4.51
Rot. Bonds4

About [2-butyl-6-(2-methylphenyl)phenyl]phosphane

[2-butyl-6-(2-methylphenyl)phenyl]phosphane (PubChem CID 154051164) has the molecular formula C17H21P and a molecular weight of 256.33 g/mol. Its IUPAC name is [2-butyl-6-(2-methylphenyl)phenyl]phosphane.

Molecular Properties

Compound Name[2-butyl-6-(2-methylphenyl)phenyl]phosphane
PubChem CID154051164
Molecular FormulaC17H21P
Molecular Weight256.33 g/mol
Exact Mass256.14
IUPAC Name[2-butyl-6-(2-methylphenyl)phenyl]phosphane
SMILESCCCCc1cccc(-c2ccccc2C)c1P
InChIInChI=1S/C17H21P/c1-3-4-9-14-10-7-12-16(17(14)18)15-11-6-5-8-13(15)2/h5-8,10-12H,3-4,9,18H2,1-2H3
InChIKeyXMULKHJIGKBXBO-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2,3-dibutylphenyl)phosphane
CID 19901991
1-methyl-2-pentylbenzene
CID 524553
1-butyl-2-methylbenzene;ethane;propane
CID 142102479
1,2-dibutyl-3-(2,3-dimethylphenyl)benzene
CID 174967419
CID 159940559
CID 159940559
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
1-butyl-2-(4-methylphenyl)benzene
CID 58626581
1,2,3-tributylbenzene;hydrate
CID 172716323
2-(2-methyl-6-pentylphenyl)benzonitrile
CID 101053248
1-butyl-2-(3-methylphenyl)benzene
CID 174352877
1,2-dihexyl-3-methylbenzene
CID 15920121
sodium;1-heptadecyl-2-methylbenzene;hydride
CID 173344564

Frequently Asked Questions

What is the IUPAC name of [2-butyl-6-(2-methylphenyl)phenyl]phosphane?
The IUPAC name of [2-butyl-6-(2-methylphenyl)phenyl]phosphane (CID 154051164) is [2-butyl-6-(2-methylphenyl)phenyl]phosphane.
What is the SMILES notation for [2-butyl-6-(2-methylphenyl)phenyl]phosphane?
The canonical SMILES for [2-butyl-6-(2-methylphenyl)phenyl]phosphane is CCCCc1cccc(-c2ccccc2C)c1P.
What is the InChIKey of [2-butyl-6-(2-methylphenyl)phenyl]phosphane?
The InChIKey is XMULKHJIGKBXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21P/c1-3-4-9-14-10-7-12-16(17(14)18)15-11-6-5-8-13(15)2/h5-8,10-12H,3-4,9,18H2,1-2H3.
What are the key properties of [2-butyl-6-(2-methylphenyl)phenyl]phosphane?
[2-butyl-6-(2-methylphenyl)phenyl]phosphane has a molecular weight of 256.33 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butyl-6-(2-methylphenyl)phenyl]phosphane is sourced from PubChem (CID 154051164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).