bromo(4-phenylbutyl)phosphane

C10H14BrP — CID 141313011

IUPACbromo(4-phenylbutyl)phosphane
SMILESBrPCCCCc1ccccc1
InChIInChI=1S/C10H14BrP/c11-12-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2
InChIKeyCMDMTICXEXWJGM-UHFFFAOYSA-N
MW245.10 g/mol
LogP4.00
Rot. Bonds5

About bromo(4-phenylbutyl)phosphane

bromo(4-phenylbutyl)phosphane (PubChem CID 141313011) has the molecular formula C10H14BrP and a molecular weight of 245.10 g/mol. Its IUPAC name is bromo(4-phenylbutyl)phosphane.

Molecular Properties

Compound Namebromo(4-phenylbutyl)phosphane
PubChem CID141313011
Molecular FormulaC10H14BrP
Molecular Weight245.10 g/mol
Exact Mass244.00
IUPAC Namebromo(4-phenylbutyl)phosphane
SMILESBrPCCCCc1ccccc1
InChIInChI=1S/C10H14BrP/c11-12-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2
InChIKeyCMDMTICXEXWJGM-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.10
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-phenylbutylbenzene
CID 141301927
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095
7-iodoheptylbenzene
CID 14529673
pentylbenzene
CID 91255123
4-chlorobutylbenzene;ethane
CID 142108519
lithium;4-bromobutylbenzene;hydride
CID 175042628
heptylbenzene
CID 91456779
1,9-diphenylnonan-5-one
CID 23467830
benzene;2-phenylethylbenzene
CID 18982764

Frequently Asked Questions

What is the IUPAC name of bromo(4-phenylbutyl)phosphane?
The IUPAC name of bromo(4-phenylbutyl)phosphane (CID 141313011) is bromo(4-phenylbutyl)phosphane.
What is the SMILES notation for bromo(4-phenylbutyl)phosphane?
The canonical SMILES for bromo(4-phenylbutyl)phosphane is BrPCCCCc1ccccc1.
What is the InChIKey of bromo(4-phenylbutyl)phosphane?
The InChIKey is CMDMTICXEXWJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrP/c11-12-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2.
What are the key properties of bromo(4-phenylbutyl)phosphane?
bromo(4-phenylbutyl)phosphane has a molecular weight of 245.10 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(4-phenylbutyl)phosphane is sourced from PubChem (CID 141313011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).