methyl-phenyl-(1-phenylbutan-2-yl)phosphane;hydrobromide

C17H22BrP — CID 173436254

IUPACmethyl-phenyl-(1-phenylbutan-2-yl)phosphane;hydrobromide
SMILESBr.CCC(Cc1ccccc1)P(C)c1ccccc1
InChIInChI=1S/C17H21P.BrH/c1-3-16(14-15-10-6-4-7-11-15)18(2)17-12-8-5-9-13-17;/h4-13,16H,3,14H2,1-2H3;1H
InChIKeyGKMGXDBVYRZROO-UHFFFAOYSA-N
MW337.24 g/mol
LogP5.02
Rot. Bonds5

About methyl-phenyl-(1-phenylbutan-2-yl)phosphane;hydrobromide

methyl-phenyl-(1-phenylbutan-2-yl)phosphane;hydrobromide (PubChem CID 173436254) has the molecular formula C17H22BrP and a molecular weight of 337.24 g/mol. Its IUPAC name is methyl-phenyl-(1-phenylbutan-2-yl)phosphane;hydrobromide.

Molecular Properties

Compound Namemethyl-phenyl-(1-phenylbutan-2-yl)phosphane;hydrobromide
PubChem CID173436254
Molecular FormulaC17H22BrP
Molecular Weight337.24 g/mol
Exact Mass336.06
IUPAC Namemethyl-phenyl-(1-phenylbutan-2-yl)phosphane;hydrobromide
SMILESBr.CCC(Cc1ccccc1)P(C)c1ccccc1
InChIInChI=1S/C17H21P.BrH/c1-3-16(14-15-10-6-4-7-11-15)18(2)17-12-8-5-9-13-17;/h4-13,16H,3,14H2,1-2H3;1H
InChIKeyGKMGXDBVYRZROO-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.24
LogP ≤ 55.02
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

diphenyl(1-phenylheptan-2-yl)phosphane
CID 139486900
2-ethylbutylbenzene;methane
CID 158777195
2-iodobutylbenzene
CID 11196235
diphenyl(1-phenylpropan-2-yloxy)phosphane
CID 86075511
tribenzyl(ethyl)phosphanium
CID 23415376
[(2S)-2-ethyl-3-methylbutyl]benzene
CID 59911229
(S)-ethyl-methyl-phenylphosphane
CID 10909914
hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
N,N-dimethyl-1-phenylbutan-2-amine
CID 14527584
ethane;(2-ethyl-3-methylbutyl)benzene
CID 166139706
(2R)-2-benzylbutan-1-amine
CID 42325983
N-(1,3-diphenylpropan-2-yl)-2-methylbutan-1-amine
CID 63478564

Frequently Asked Questions

What is the IUPAC name of methyl-phenyl-(1-phenylbutan-2-yl)phosphane;hydrobromide?
The IUPAC name of methyl-phenyl-(1-phenylbutan-2-yl)phosphane;hydrobromide (CID 173436254) is methyl-phenyl-(1-phenylbutan-2-yl)phosphane;hydrobromide.
What is the SMILES notation for methyl-phenyl-(1-phenylbutan-2-yl)phosphane;hydrobromide?
The canonical SMILES for methyl-phenyl-(1-phenylbutan-2-yl)phosphane;hydrobromide is Br.CCC(Cc1ccccc1)P(C)c1ccccc1.
What is the InChIKey of methyl-phenyl-(1-phenylbutan-2-yl)phosphane;hydrobromide?
The InChIKey is GKMGXDBVYRZROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21P.BrH/c1-3-16(14-15-10-6-4-7-11-15)18(2)17-12-8-5-9-13-17;/h4-13,16H,3,14H2,1-2H3;1H.
What are the key properties of methyl-phenyl-(1-phenylbutan-2-yl)phosphane;hydrobromide?
methyl-phenyl-(1-phenylbutan-2-yl)phosphane;hydrobromide has a molecular weight of 337.24 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-phenyl-(1-phenylbutan-2-yl)phosphane;hydrobromide is sourced from PubChem (CID 173436254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).