2-phenoxybutan-2-ylphosphane

C10H15OP — CID 89070581

IUPAC2-phenoxybutan-2-ylphosphane
SMILESCCC(C)(P)Oc1ccccc1
InChIInChI=1S/C10H15OP/c1-3-10(2,12)11-9-7-5-4-6-8-9/h4-8H,3,12H2,1-2H3
InChIKeyLPBRQPVKHNBDQP-UHFFFAOYSA-N
MW182.20 g/mol
LogP3.07
Rot. Bonds3

About 2-phenoxybutan-2-ylphosphane

2-phenoxybutan-2-ylphosphane (PubChem CID 89070581) has the molecular formula C10H15OP and a molecular weight of 182.20 g/mol. Its IUPAC name is 2-phenoxybutan-2-ylphosphane.

Molecular Properties

Compound Name2-phenoxybutan-2-ylphosphane
PubChem CID89070581
Molecular FormulaC10H15OP
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name2-phenoxybutan-2-ylphosphane
SMILESCCC(C)(P)Oc1ccccc1
InChIInChI=1S/C10H15OP/c1-3-10(2,12)11-9-7-5-4-6-8-9/h4-8H,3,12H2,1-2H3
InChIKeyLPBRQPVKHNBDQP-UHFFFAOYSA-N
XLogP3.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-phenoxybutan-2-ylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methylpropan-2-yl)oxybenzene;propane
CID 169265117
1,1-diphenoxypropoxyphosphane
CID 175052143
triphenoxymethylphosphane
CID 18472089
2,4-dimethyl-4-phenoxypentan-2-amine
CID 91544651
3,3-dimethyl-2-(2-methylbutan-2-yl)-2-phenoxypentanal
CID 173307371
2-iodopropan-2-yloxybenzene
CID 147876431
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 159885563
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 161423888
2,2-diphenoxybutanoic acid
CID 159827255
2-methyl-2-(4-phenoxyphenoxy)butan-1-amine
CID 62354841
tert-butyl(2-phenoxypentan-2-yl)diazene
CID 173463425
3-methyl-3-phenoxypentane-1,2-diol
CID 174459303

Frequently Asked Questions

What is the IUPAC name of 2-phenoxybutan-2-ylphosphane?
The IUPAC name of 2-phenoxybutan-2-ylphosphane (CID 89070581) is 2-phenoxybutan-2-ylphosphane.
What is the SMILES notation for 2-phenoxybutan-2-ylphosphane?
The canonical SMILES for 2-phenoxybutan-2-ylphosphane is CCC(C)(P)Oc1ccccc1.
What is the InChIKey of 2-phenoxybutan-2-ylphosphane?
The InChIKey is LPBRQPVKHNBDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15OP/c1-3-10(2,12)11-9-7-5-4-6-8-9/h4-8H,3,12H2,1-2H3.
What are the key properties of 2-phenoxybutan-2-ylphosphane?
2-phenoxybutan-2-ylphosphane has a molecular weight of 182.20 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxybutan-2-ylphosphane is sourced from PubChem (CID 89070581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).