(2-butylphenyl)-diphenylphosphane;hydrobromide

C22H24BrP — CID 173070100

IUPAC(2-butylphenyl)-diphenylphosphane;hydrobromide
SMILESBr.CCCCc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23P.BrH/c1-2-3-12-19-13-10-11-18-22(19)23(20-14-6-4-7-15-20)21-16-8-5-9-17-21;/h4-11,13-18H,2-3,12H2,1H3;1H
InChIKeySIDXFGMQLJSRTB-UHFFFAOYSA-N
MW399.31 g/mol
LogP5.37
Rot. Bonds6

About (2-butylphenyl)-diphenylphosphane;hydrobromide

(2-butylphenyl)-diphenylphosphane;hydrobromide (PubChem CID 173070100) has the molecular formula C22H24BrP and a molecular weight of 399.31 g/mol. Its IUPAC name is (2-butylphenyl)-diphenylphosphane;hydrobromide.

Molecular Properties

Compound Name(2-butylphenyl)-diphenylphosphane;hydrobromide
PubChem CID173070100
Molecular FormulaC22H24BrP
Molecular Weight399.31 g/mol
Exact Mass398.08
IUPAC Name(2-butylphenyl)-diphenylphosphane;hydrobromide
SMILESBr.CCCCc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23P.BrH/c1-2-3-12-19-13-10-11-18-22(19)23(20-14-6-4-7-15-20)21-16-8-5-9-17-21;/h4-11,13-18H,2-3,12H2,1H3;1H
InChIKeySIDXFGMQLJSRTB-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.31
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2-pentylphenyl)-diphenylphosphane
CID 22731138
(2-butylphenyl)-diphenylphosphane;thiocyanic acid
CID 172735043
(2-ethylphenyl)-diphenylphosphane;hydrobromide
CID 172692670
ethyl 4-(2-diphenylphosphanylphenyl)butanoate;hydrobromide
CID 172866097
2-(2-diphenylphosphanylphenyl)ethanol;hydrochloride
CID 172741972
(2,3-dibutylphenyl)-methyl-phenylphosphane
CID 90110911
(2-nonylphenyl)phosphane;triphenylphosphane
CID 174888217
CID 159940559
CID 159940559
lithium (2-diphenylphosphanylphenyl)methanolate
CID 102445042
1-bis(2-butylphenyl)phosphanylpentyl-bis(2-butylphenyl)phosphane
CID 90109957
2-(2-diphenylphosphanylphenyl)ethane-1,1,1-triol
CID 155445648
[2-(chloromethyl)phenyl]-diphenylphosphane;hydrochloride
CID 172706250

Frequently Asked Questions

What is the IUPAC name of (2-butylphenyl)-diphenylphosphane;hydrobromide?
The IUPAC name of (2-butylphenyl)-diphenylphosphane;hydrobromide (CID 173070100) is (2-butylphenyl)-diphenylphosphane;hydrobromide.
What is the SMILES notation for (2-butylphenyl)-diphenylphosphane;hydrobromide?
The canonical SMILES for (2-butylphenyl)-diphenylphosphane;hydrobromide is Br.CCCCc1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-butylphenyl)-diphenylphosphane;hydrobromide?
The InChIKey is SIDXFGMQLJSRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23P.BrH/c1-2-3-12-19-13-10-11-18-22(19)23(20-14-6-4-7-15-20)21-16-8-5-9-17-21;/h4-11,13-18H,2-3,12H2,1H3;1H.
What are the key properties of (2-butylphenyl)-diphenylphosphane;hydrobromide?
(2-butylphenyl)-diphenylphosphane;hydrobromide has a molecular weight of 399.31 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butylphenyl)-diphenylphosphane;hydrobromide is sourced from PubChem (CID 173070100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).