1-[(4-bromophenyl)-(2-methylphenyl)phosphoryl]-2-methylbenzene

C20H18BrOP — CID 150421985

IUPAC1-[(4-bromophenyl)-(2-methylphenyl)phosphoryl]-2-methylbenzene
SMILESCc1ccccc1P(=O)(c1ccc(Br)cc1)c1ccccc1C
InChIInChI=1S/C20H18BrOP/c1-15-7-3-5-9-19(15)23(22,18-13-11-17(21)12-14-18)20-10-6-4-8-16(20)2/h3-14H,1-2H3
InChIKeyHHZFDARWCWQZNY-UHFFFAOYSA-N
MW385.24 g/mol
LogP4.71
Rot. Bonds3

About 1-[(4-bromophenyl)-(2-methylphenyl)phosphoryl]-2-methylbenzene

1-[(4-bromophenyl)-(2-methylphenyl)phosphoryl]-2-methylbenzene (PubChem CID 150421985) has the molecular formula C20H18BrOP and a molecular weight of 385.24 g/mol. Its IUPAC name is 1-[(4-bromophenyl)-(2-methylphenyl)phosphoryl]-2-methylbenzene.

Molecular Properties

Compound Name1-[(4-bromophenyl)-(2-methylphenyl)phosphoryl]-2-methylbenzene
PubChem CID150421985
Molecular FormulaC20H18BrOP
Molecular Weight385.24 g/mol
Exact Mass384.03
IUPAC Name1-[(4-bromophenyl)-(2-methylphenyl)phosphoryl]-2-methylbenzene
SMILESCc1ccccc1P(=O)(c1ccc(Br)cc1)c1ccccc1C
InChIInChI=1S/C20H18BrOP/c1-15-7-3-5-9-19(15)23(22,18-13-11-17(21)12-14-18)20-10-6-4-8-16(20)2/h3-14H,1-2H3
InChIKeyHHZFDARWCWQZNY-UHFFFAOYSA-N
XLogP4.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.24
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(4-bromophenyl)-(2-methylphenyl)phosphoryl]-2-methylbenzene 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

1,2-bis[bis(4-methylphenyl)phosphoryl]benzene
CID 139462616
1-(2-diphenylphosphorylphenyl)-2-methylbenzene
CID 15531741
(2-methylphenyl)phosphonic acid;dihydrochloride
CID 70471914
1-dicyclopropylphosphoryl-2-methylbenzene
CID 167253001
1-[ethoxy-(2-methylphenyl)phosphoryl]-2-methylbenzene
CID 23081831
1-bis(2,3-dimethylphenyl)phosphoryl-2,3-dimethylbenzene
CID 118862460
(2-methylphenyl)-diphenyl-sulfanylidene-lambda5-phosphane
CID 13238195
1-(4-diphenylphosphorylphenyl)-4-methylbenzene
CID 11233983
1-[[2,3-bis(ethenyl)phenyl]-phenylphosphoryl]-2-ethenyl-3-methylbenzene
CID 145199166
3-[(4-bromophenyl)-dibenzothiophen-3-ylphosphoryl]dibenzothiophene
CID 169086317
tetramethyl-[(2-methylphenyl)-(tetramethyl-λ5-phosphanyl)oxyphosphoryl]oxy-λ5-phosphane
CID 141035011
2-[phenyl-(2-sulfanylphenyl)phosphoryl]benzenethiol
CID 15409952

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)-(2-methylphenyl)phosphoryl]-2-methylbenzene?
The IUPAC name of 1-[(4-bromophenyl)-(2-methylphenyl)phosphoryl]-2-methylbenzene (CID 150421985) is 1-[(4-bromophenyl)-(2-methylphenyl)phosphoryl]-2-methylbenzene.
What is the SMILES notation for 1-[(4-bromophenyl)-(2-methylphenyl)phosphoryl]-2-methylbenzene?
The canonical SMILES for 1-[(4-bromophenyl)-(2-methylphenyl)phosphoryl]-2-methylbenzene is Cc1ccccc1P(=O)(c1ccc(Br)cc1)c1ccccc1C.
What is the InChIKey of 1-[(4-bromophenyl)-(2-methylphenyl)phosphoryl]-2-methylbenzene?
The InChIKey is HHZFDARWCWQZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrOP/c1-15-7-3-5-9-19(15)23(22,18-13-11-17(21)12-14-18)20-10-6-4-8-16(20)2/h3-14H,1-2H3.
What are the key properties of 1-[(4-bromophenyl)-(2-methylphenyl)phosphoryl]-2-methylbenzene?
1-[(4-bromophenyl)-(2-methylphenyl)phosphoryl]-2-methylbenzene has a molecular weight of 385.24 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)-(2-methylphenyl)phosphoryl]-2-methylbenzene is sourced from PubChem (CID 150421985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).