1-[tert-butyl-(2-methylphenyl)phosphoryl]-2-methylbenzene

C18H23OP — CID 5250746

IUPAC1-[tert-butyl-(2-methylphenyl)phosphoryl]-2-methylbenzene
SMILESCc1ccccc1P(=O)(c1ccccc1C)C(C)(C)C
InChIInChI=1S/C18H23OP/c1-14-10-6-8-12-16(14)20(19,18(3,4)5)17-13-9-7-11-15(17)2/h6-13H,1-5H3
InChIKeyJHEMOARNZYBGES-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.42
Rot. Bonds2

About 1-[tert-butyl-(2-methylphenyl)phosphoryl]-2-methylbenzene

1-[tert-butyl-(2-methylphenyl)phosphoryl]-2-methylbenzene (PubChem CID 5250746) has the molecular formula C18H23OP and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-[tert-butyl-(2-methylphenyl)phosphoryl]-2-methylbenzene.

Molecular Properties

Compound Name1-[tert-butyl-(2-methylphenyl)phosphoryl]-2-methylbenzene
PubChem CID5250746
Molecular FormulaC18H23OP
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name1-[tert-butyl-(2-methylphenyl)phosphoryl]-2-methylbenzene
SMILESCc1ccccc1P(=O)(c1ccccc1C)C(C)(C)C
InChIInChI=1S/C18H23OP/c1-14-10-6-8-12-16(14)20(19,18(3,4)5)17-13-9-7-11-15(17)2/h6-13H,1-5H3
InChIKeyJHEMOARNZYBGES-UHFFFAOYSA-N
XLogP4.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl-(2-methylphenyl)phosphoryl]-2-methylbenzene?
The IUPAC name of 1-[tert-butyl-(2-methylphenyl)phosphoryl]-2-methylbenzene (CID 5250746) is 1-[tert-butyl-(2-methylphenyl)phosphoryl]-2-methylbenzene.
What is the SMILES notation for 1-[tert-butyl-(2-methylphenyl)phosphoryl]-2-methylbenzene?
The canonical SMILES for 1-[tert-butyl-(2-methylphenyl)phosphoryl]-2-methylbenzene is Cc1ccccc1P(=O)(c1ccccc1C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl-(2-methylphenyl)phosphoryl]-2-methylbenzene?
The InChIKey is JHEMOARNZYBGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23OP/c1-14-10-6-8-12-16(14)20(19,18(3,4)5)17-13-9-7-11-15(17)2/h6-13H,1-5H3.
What are the key properties of 1-[tert-butyl-(2-methylphenyl)phosphoryl]-2-methylbenzene?
1-[tert-butyl-(2-methylphenyl)phosphoryl]-2-methylbenzene has a molecular weight of 286.35 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl-(2-methylphenyl)phosphoryl]-2-methylbenzene is sourced from PubChem (CID 5250746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).