4-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenyl]phenol

C31H26BrOP — CID 164679038

IUPAC4-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenyl]phenol
SMILESOc1ccc(-c2ccccc2CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H26BrOP/c32-34(28-13-4-1-5-14-28,29-15-6-2-7-16-29,30-17-8-3-9-18-30)24-26-12-10-11-19-31(26)25-20-22-27(33)23-21-25/h1-23,33H,24H2
InChIKeyKNTFPLWHTWMYMA-UHFFFAOYSA-N
MW525.43 g/mol
LogP7.40
Rot. Bonds6

About 4-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenyl]phenol

4-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenyl]phenol (PubChem CID 164679038) has the molecular formula C31H26BrOP and a molecular weight of 525.43 g/mol. Its IUPAC name is 4-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenyl]phenol.

Molecular Properties

Compound Name4-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenyl]phenol
PubChem CID164679038
Molecular FormulaC31H26BrOP
Molecular Weight525.43 g/mol
Exact Mass524.09
IUPAC Name4-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenyl]phenol
SMILESOc1ccc(-c2ccccc2CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H26BrOP/c32-34(28-13-4-1-5-14-28,29-15-6-2-7-16-29,30-17-8-3-9-18-30)24-26-12-10-11-19-31(26)25-20-22-27(33)23-21-25/h1-23,33H,24H2
InChIKeyKNTFPLWHTWMYMA-UHFFFAOYSA-N
XLogP7.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.43
LogP ≤ 57.40
H-Bond Donors ≤ 51
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 4-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenyl]phenol?
The IUPAC name of 4-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenyl]phenol (CID 164679038) is 4-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenyl]phenol.
What is the SMILES notation for 4-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenyl]phenol?
The canonical SMILES for 4-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenyl]phenol is Oc1ccc(-c2ccccc2CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenyl]phenol?
The InChIKey is KNTFPLWHTWMYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26BrOP/c32-34(28-13-4-1-5-14-28,29-15-6-2-7-16-29,30-17-8-3-9-18-30)24-26-12-10-11-19-31(26)25-20-22-27(33)23-21-25/h1-23,33H,24H2.
What are the key properties of 4-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenyl]phenol?
4-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenyl]phenol has a molecular weight of 525.43 g/mol, XLogP of 7.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenyl]phenol is sourced from PubChem (CID 164679038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).