2,3-dimethylbutan-2-yl(phenoxy)phosphane;hydrobromide

C12H20BrOP — CID 175900993

IUPAC2,3-dimethylbutan-2-yl(phenoxy)phosphane;hydrobromide
SMILESBr.CC(C)C(C)(C)POc1ccccc1
InChIInChI=1S/C12H19OP.BrH/c1-10(2)12(3,4)14-13-11-8-6-5-7-9-11;/h5-10,14H,1-4H3;1H
InChIKeyLYFLCXFWNYUFLO-UHFFFAOYSA-N
MW291.17 g/mol
LogP4.67
Rot. Bonds4

About 2,3-dimethylbutan-2-yl(phenoxy)phosphane;hydrobromide

2,3-dimethylbutan-2-yl(phenoxy)phosphane;hydrobromide (PubChem CID 175900993) has the molecular formula C12H20BrOP and a molecular weight of 291.17 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-yl(phenoxy)phosphane;hydrobromide.

Molecular Properties

Compound Name2,3-dimethylbutan-2-yl(phenoxy)phosphane;hydrobromide
PubChem CID175900993
Molecular FormulaC12H20BrOP
Molecular Weight291.17 g/mol
Exact Mass290.04
IUPAC Name2,3-dimethylbutan-2-yl(phenoxy)phosphane;hydrobromide
SMILESBr.CC(C)C(C)(C)POc1ccccc1
InChIInChI=1S/C12H19OP.BrH/c1-10(2)12(3,4)14-13-11-8-6-5-7-9-11;/h5-10,14H,1-4H3;1H
InChIKeyLYFLCXFWNYUFLO-UHFFFAOYSA-N
XLogP4.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 54.67
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

1,1,2,2,2-pentafluoroethyl(phenoxy)phosphane
CID 175406720
3,4-dimethyl-1-phenoxypentan-3-amine
CID 114998451
diphenoxyphosphane chloride
CID 19706010
anisole;ethane;methane;2-methylpropane
CID 159356491
2,3-dimethyl-1-phenoxybutan-2-ol
CID 114447731
phenoxyphosphinothious acid
CID 88675706
dimethyl(diphenoxy)phosphanium
CID 118068912
diphenoxy(propan-2-yl)alumane
CID 140617809
ditert-butyl(phenoxy)alumane
CID 16696692
3-methylbutoxy(phenoxy)phosphane
CID 175046720
anisole;2-(5,5-dimethylhexan-2-yloxy)ethoxybenzene
CID 175384106
anisole;trihydrofluoride
CID 174796385

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-2-yl(phenoxy)phosphane;hydrobromide?
The IUPAC name of 2,3-dimethylbutan-2-yl(phenoxy)phosphane;hydrobromide (CID 175900993) is 2,3-dimethylbutan-2-yl(phenoxy)phosphane;hydrobromide.
What is the SMILES notation for 2,3-dimethylbutan-2-yl(phenoxy)phosphane;hydrobromide?
The canonical SMILES for 2,3-dimethylbutan-2-yl(phenoxy)phosphane;hydrobromide is Br.CC(C)C(C)(C)POc1ccccc1.
What is the InChIKey of 2,3-dimethylbutan-2-yl(phenoxy)phosphane;hydrobromide?
The InChIKey is LYFLCXFWNYUFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19OP.BrH/c1-10(2)12(3,4)14-13-11-8-6-5-7-9-11;/h5-10,14H,1-4H3;1H.
What are the key properties of 2,3-dimethylbutan-2-yl(phenoxy)phosphane;hydrobromide?
2,3-dimethylbutan-2-yl(phenoxy)phosphane;hydrobromide has a molecular weight of 291.17 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-yl(phenoxy)phosphane;hydrobromide is sourced from PubChem (CID 175900993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).