2-tert-butyl-1,3-benzoxaphosphole

C11H13OP — CID 12600647

IUPAC2-tert-butyl-1,3-benzoxaphosphole
SMILESCC(C)(C)c1oc2ccccc2p1
InChIInChI=1S/C11H13OP/c1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h4-7H,1-3H3
InChIKeyKANHKUPZQLUSMQ-UHFFFAOYSA-N
MW192.20 g/mol
LogP4.31
Rot. Bonds

About 2-tert-butyl-1,3-benzoxaphosphole

2-tert-butyl-1,3-benzoxaphosphole (PubChem CID 12600647) has the molecular formula C11H13OP and a molecular weight of 192.20 g/mol. Its IUPAC name is 2-tert-butyl-1,3-benzoxaphosphole.

Molecular Properties

Compound Name2-tert-butyl-1,3-benzoxaphosphole
PubChem CID12600647
Molecular FormulaC11H13OP
Molecular Weight192.20 g/mol
Exact Mass192.07
IUPAC Name2-tert-butyl-1,3-benzoxaphosphole
SMILESCC(C)(C)c1oc2ccccc2p1
InChIInChI=1S/C11H13OP/c1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h4-7H,1-3H3
InChIKeyKANHKUPZQLUSMQ-UHFFFAOYSA-N
XLogP4.31
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-tert-butyl-1,3-benzoxaphosphole 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 2-tert-butyl-1,3-benzoxaphosphole?
The IUPAC name of 2-tert-butyl-1,3-benzoxaphosphole (CID 12600647) is 2-tert-butyl-1,3-benzoxaphosphole.
What is the SMILES notation for 2-tert-butyl-1,3-benzoxaphosphole?
The canonical SMILES for 2-tert-butyl-1,3-benzoxaphosphole is CC(C)(C)c1oc2ccccc2p1.
What is the InChIKey of 2-tert-butyl-1,3-benzoxaphosphole?
The InChIKey is KANHKUPZQLUSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13OP/c1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h4-7H,1-3H3.
What are the key properties of 2-tert-butyl-1,3-benzoxaphosphole?
2-tert-butyl-1,3-benzoxaphosphole has a molecular weight of 192.20 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-benzoxaphosphole is sourced from PubChem (CID 12600647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).