2-ethyl-1,3-benzoxaphosphole

C9H9OP — CID 134907950

IUPAC2-ethyl-1,3-benzoxaphosphole
SMILESCCc1oc2ccccc2p1
InChIInChI=1S/C9H9OP/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3
InChIKeyYQXOCKZKNPJLIP-UHFFFAOYSA-N
MW164.14 g/mol
LogP3.58
Rot. Bonds1

About 2-ethyl-1,3-benzoxaphosphole

2-ethyl-1,3-benzoxaphosphole (PubChem CID 134907950) has the molecular formula C9H9OP and a molecular weight of 164.14 g/mol. Its IUPAC name is 2-ethyl-1,3-benzoxaphosphole.

Molecular Properties

Compound Name2-ethyl-1,3-benzoxaphosphole
PubChem CID134907950
Molecular FormulaC9H9OP
Molecular Weight164.14 g/mol
Exact Mass164.04
IUPAC Name2-ethyl-1,3-benzoxaphosphole
SMILESCCc1oc2ccccc2p1
InChIInChI=1S/C9H9OP/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3
InChIKeyYQXOCKZKNPJLIP-UHFFFAOYSA-N
XLogP3.58
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-benzoxaphosphole?
The IUPAC name of 2-ethyl-1,3-benzoxaphosphole (CID 134907950) is 2-ethyl-1,3-benzoxaphosphole.
What is the SMILES notation for 2-ethyl-1,3-benzoxaphosphole?
The canonical SMILES for 2-ethyl-1,3-benzoxaphosphole is CCc1oc2ccccc2p1.
What is the InChIKey of 2-ethyl-1,3-benzoxaphosphole?
The InChIKey is YQXOCKZKNPJLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9OP/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3.
What are the key properties of 2-ethyl-1,3-benzoxaphosphole?
2-ethyl-1,3-benzoxaphosphole has a molecular weight of 164.14 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-benzoxaphosphole is sourced from PubChem (CID 134907950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).