2-methyl-1,3-benzoxaphosphole

C8H7OP — CID 13125851

IUPAC2-methyl-1,3-benzoxaphosphole
SMILESCc1oc2ccccc2p1
InChIInChI=1S/C8H7OP/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3
InChIKeyJATKYNFBKAVWAS-UHFFFAOYSA-N
MW150.12 g/mol
LogP3.32
Rot. Bonds

About 2-methyl-1,3-benzoxaphosphole

2-methyl-1,3-benzoxaphosphole (PubChem CID 13125851) has the molecular formula C8H7OP and a molecular weight of 150.12 g/mol. Its IUPAC name is 2-methyl-1,3-benzoxaphosphole.

Molecular Properties

Compound Name2-methyl-1,3-benzoxaphosphole
PubChem CID13125851
Molecular FormulaC8H7OP
Molecular Weight150.12 g/mol
Exact Mass150.02
IUPAC Name2-methyl-1,3-benzoxaphosphole
SMILESCc1oc2ccccc2p1
InChIInChI=1S/C8H7OP/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3
InChIKeyJATKYNFBKAVWAS-UHFFFAOYSA-N
XLogP3.32
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.12
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-benzoxaphosphole?
The IUPAC name of 2-methyl-1,3-benzoxaphosphole (CID 13125851) is 2-methyl-1,3-benzoxaphosphole.
What is the SMILES notation for 2-methyl-1,3-benzoxaphosphole?
The canonical SMILES for 2-methyl-1,3-benzoxaphosphole is Cc1oc2ccccc2p1.
What is the InChIKey of 2-methyl-1,3-benzoxaphosphole?
The InChIKey is JATKYNFBKAVWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7OP/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3.
What are the key properties of 2-methyl-1,3-benzoxaphosphole?
2-methyl-1,3-benzoxaphosphole has a molecular weight of 150.12 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-benzoxaphosphole is sourced from PubChem (CID 13125851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).