1-bromo-4-(4-dimethylphosphorylphenyl)naphthalene

C18H16BrOP — CID 162422074

IUPAC1-bromo-4-(4-dimethylphosphorylphenyl)naphthalene
SMILESCP(C)(=O)c1ccc(-c2ccc(Br)c3ccccc23)cc1
InChIInChI=1S/C18H16BrOP/c1-21(2,20)14-9-7-13(8-10-14)15-11-12-18(19)17-6-4-3-5-16(15)17/h3-12H,1-2H3
InChIKeyCPBTZTYHJOMFRI-UHFFFAOYSA-N
MW359.20 g/mol
LogP5.52
Rot. Bonds2

About 1-bromo-4-(4-dimethylphosphorylphenyl)naphthalene

1-bromo-4-(4-dimethylphosphorylphenyl)naphthalene (PubChem CID 162422074) has the molecular formula C18H16BrOP and a molecular weight of 359.20 g/mol. Its IUPAC name is 1-bromo-4-(4-dimethylphosphorylphenyl)naphthalene.

Molecular Properties

Compound Name1-bromo-4-(4-dimethylphosphorylphenyl)naphthalene
PubChem CID162422074
Molecular FormulaC18H16BrOP
Molecular Weight359.20 g/mol
Exact Mass358.01
IUPAC Name1-bromo-4-(4-dimethylphosphorylphenyl)naphthalene
SMILESCP(C)(=O)c1ccc(-c2ccc(Br)c3ccccc23)cc1
InChIInChI=1S/C18H16BrOP/c1-21(2,20)14-9-7-13(8-10-14)15-11-12-18(19)17-6-4-3-5-16(15)17/h3-12H,1-2H3
InChIKeyCPBTZTYHJOMFRI-UHFFFAOYSA-N
XLogP5.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.20
LogP ≤ 55.52
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-bromo-4-(4-dimethylphosphorylphenyl)naphthalene?
The IUPAC name of 1-bromo-4-(4-dimethylphosphorylphenyl)naphthalene (CID 162422074) is 1-bromo-4-(4-dimethylphosphorylphenyl)naphthalene.
What is the SMILES notation for 1-bromo-4-(4-dimethylphosphorylphenyl)naphthalene?
The canonical SMILES for 1-bromo-4-(4-dimethylphosphorylphenyl)naphthalene is CP(C)(=O)c1ccc(-c2ccc(Br)c3ccccc23)cc1.
What is the InChIKey of 1-bromo-4-(4-dimethylphosphorylphenyl)naphthalene?
The InChIKey is CPBTZTYHJOMFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrOP/c1-21(2,20)14-9-7-13(8-10-14)15-11-12-18(19)17-6-4-3-5-16(15)17/h3-12H,1-2H3.
What are the key properties of 1-bromo-4-(4-dimethylphosphorylphenyl)naphthalene?
1-bromo-4-(4-dimethylphosphorylphenyl)naphthalene has a molecular weight of 359.20 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-dimethylphosphorylphenyl)naphthalene is sourced from PubChem (CID 162422074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).