1-bromo-3-(diphenylphosphorylmethyl)benzene

C19H16BrOP — CID 172848194

IUPAC1-bromo-3-(diphenylphosphorylmethyl)benzene
SMILESO=P(Cc1cccc(Br)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16BrOP/c20-17-9-7-8-16(14-17)15-22(21,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14H,15H2
InChIKeyXSDKTFADXJOXBH-UHFFFAOYSA-N
MW371.21 g/mol
LogP4.96
Rot. Bonds4

About 1-bromo-3-(diphenylphosphorylmethyl)benzene

1-bromo-3-(diphenylphosphorylmethyl)benzene (PubChem CID 172848194) has the molecular formula C19H16BrOP and a molecular weight of 371.21 g/mol. Its IUPAC name is 1-bromo-3-(diphenylphosphorylmethyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(diphenylphosphorylmethyl)benzene
PubChem CID172848194
Molecular FormulaC19H16BrOP
Molecular Weight371.21 g/mol
Exact Mass370.01
IUPAC Name1-bromo-3-(diphenylphosphorylmethyl)benzene
SMILESO=P(Cc1cccc(Br)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16BrOP/c20-17-9-7-8-16(14-17)15-22(21,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14H,15H2
InChIKeyXSDKTFADXJOXBH-UHFFFAOYSA-N
XLogP4.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.21
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[3-[[hydroxy(phenyl)phosphoryl]methyl]phenyl]methyl-phenylphosphinic acid
CID 11773578
N-benzyl-N-[(3-bromophenyl)methyl]formamide
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3-bromo-N-(2-diphenylphosphoryl-1-phenylethyl)aniline
CID 141410504
1-bromo-3-(6-phenylhexyl)benzene
CID 145197049
1-bromo-2-[(3-bromophenyl)-phenylphosphoryl]benzene
CID 135193040
1,3-bis[ethyl(phenyl)phosphoryl]benzene
CID 59816903
1,3-dibromocyclodeca-1,3,5,7,9-pentaene
CID 144708258
N-[2-(3-bromophenyl)ethyl]benzamide
CID 90847047
N-benzyl-N-[(3-bromophenyl)methyl]-2-chloroethanamine
CID 55182943
(3-bromophenyl)methylazanide;yttrium
CID 58710606
(3-bromophenyl)methanamine;hydroiodide
CID 175169219
1-bromo-3-ethylbenzene;methane
CID 158533972

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(diphenylphosphorylmethyl)benzene?
The IUPAC name of 1-bromo-3-(diphenylphosphorylmethyl)benzene (CID 172848194) is 1-bromo-3-(diphenylphosphorylmethyl)benzene.
What is the SMILES notation for 1-bromo-3-(diphenylphosphorylmethyl)benzene?
The canonical SMILES for 1-bromo-3-(diphenylphosphorylmethyl)benzene is O=P(Cc1cccc(Br)c1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-bromo-3-(diphenylphosphorylmethyl)benzene?
The InChIKey is XSDKTFADXJOXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrOP/c20-17-9-7-8-16(14-17)15-22(21,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14H,15H2.
What are the key properties of 1-bromo-3-(diphenylphosphorylmethyl)benzene?
1-bromo-3-(diphenylphosphorylmethyl)benzene has a molecular weight of 371.21 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(diphenylphosphorylmethyl)benzene is sourced from PubChem (CID 172848194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).