(4-tert-butylphenyl)-dioxidophosphane

C10H13O2P-2 — CID 19091532

IUPAC(4-tert-butylphenyl)-dioxidophosphane
SMILESCC(C)(C)c1ccc(P([O-])[O-])cc1
InChIInChI=1S/C10H13O2P/c1-10(2,3)8-4-6-9(7-5-8)13(11)12/h4-7H,1-3H3/q-2
InChIKeyDJUFEQJBJYVGGE-UHFFFAOYSA-N
MW196.19 g/mol
LogP0.64
Rot. Bonds1

About (4-tert-butylphenyl)-dioxidophosphane

(4-tert-butylphenyl)-dioxidophosphane (PubChem CID 19091532) has the molecular formula C10H13O2P-2 and a molecular weight of 196.19 g/mol. Its IUPAC name is (4-tert-butylphenyl)-dioxidophosphane.

Molecular Properties

Compound Name(4-tert-butylphenyl)-dioxidophosphane
PubChem CID19091532
Molecular FormulaC10H13O2P-2
Molecular Weight196.19 g/mol
Exact Mass196.07
IUPAC Name(4-tert-butylphenyl)-dioxidophosphane
SMILESCC(C)(C)c1ccc(P([O-])[O-])cc1
InChIInChI=1S/C10H13O2P/c1-10(2,3)8-4-6-9(7-5-8)13(11)12/h4-7H,1-3H3/q-2
InChIKeyDJUFEQJBJYVGGE-UHFFFAOYSA-N
XLogP0.64
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-tert-butylphenyl)-dioxidophosphane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-dioxidophosphane?
The IUPAC name of (4-tert-butylphenyl)-dioxidophosphane (CID 19091532) is (4-tert-butylphenyl)-dioxidophosphane.
What is the SMILES notation for (4-tert-butylphenyl)-dioxidophosphane?
The canonical SMILES for (4-tert-butylphenyl)-dioxidophosphane is CC(C)(C)c1ccc(P([O-])[O-])cc1.
What is the InChIKey of (4-tert-butylphenyl)-dioxidophosphane?
The InChIKey is DJUFEQJBJYVGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O2P/c1-10(2,3)8-4-6-9(7-5-8)13(11)12/h4-7H,1-3H3/q-2.
What are the key properties of (4-tert-butylphenyl)-dioxidophosphane?
(4-tert-butylphenyl)-dioxidophosphane has a molecular weight of 196.19 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-dioxidophosphane is sourced from PubChem (CID 19091532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).