(2R)-2-methyl-1,4-dihydro-3,1,2λ5-benzoxazaphosphinine 2-oxide

C8H10NO2P — CID 118136458

IUPAC(2R)-2-methyl-1,4-dihydro-3,1,2λ5-benzoxazaphosphinine 2-oxide
SMILESC[P@]1(=O)Nc2ccccc2CO1
InChIInChI=1S/C8H10NO2P/c1-12(10)9-8-5-3-2-4-7(8)6-11-12/h2-5H,6H2,1H3,(H,9,10)/t12-/m1/s1
InChIKeyAQOTZWIJOHJDJI-GFCCVEGCSA-N
MW183.15 g/mol
LogP2.45
Rot. Bonds

About (2R)-2-methyl-1,4-dihydro-3,1,2λ5-benzoxazaphosphinine 2-oxide

(2R)-2-methyl-1,4-dihydro-3,1,2λ5-benzoxazaphosphinine 2-oxide (PubChem CID 118136458) has the molecular formula C8H10NO2P and a molecular weight of 183.15 g/mol. Its IUPAC name is (2R)-2-methyl-1,4-dihydro-3,1,2λ5-benzoxazaphosphinine 2-oxide.

Molecular Properties

Compound Name(2R)-2-methyl-1,4-dihydro-3,1,2λ5-benzoxazaphosphinine 2-oxide
PubChem CID118136458
Molecular FormulaC8H10NO2P
Molecular Weight183.15 g/mol
Exact Mass183.04
IUPAC Name(2R)-2-methyl-1,4-dihydro-3,1,2λ5-benzoxazaphosphinine 2-oxide
SMILESC[P@]1(=O)Nc2ccccc2CO1
InChIInChI=1S/C8H10NO2P/c1-12(10)9-8-5-3-2-4-7(8)6-11-12/h2-5H,6H2,1H3,(H,9,10)/t12-/m1/s1
InChIKeyAQOTZWIJOHJDJI-GFCCVEGCSA-N
XLogP2.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.15
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1,4-dihydro-3,1,2λ5-benzoxazaphosphinine 2-oxide?
The IUPAC name of (2R)-2-methyl-1,4-dihydro-3,1,2λ5-benzoxazaphosphinine 2-oxide (CID 118136458) is (2R)-2-methyl-1,4-dihydro-3,1,2λ5-benzoxazaphosphinine 2-oxide.
What is the SMILES notation for (2R)-2-methyl-1,4-dihydro-3,1,2λ5-benzoxazaphosphinine 2-oxide?
The canonical SMILES for (2R)-2-methyl-1,4-dihydro-3,1,2λ5-benzoxazaphosphinine 2-oxide is C[P@]1(=O)Nc2ccccc2CO1.
What is the InChIKey of (2R)-2-methyl-1,4-dihydro-3,1,2λ5-benzoxazaphosphinine 2-oxide?
The InChIKey is AQOTZWIJOHJDJI-GFCCVEGCSA-N. The full InChI is InChI=1S/C8H10NO2P/c1-12(10)9-8-5-3-2-4-7(8)6-11-12/h2-5H,6H2,1H3,(H,9,10)/t12-/m1/s1.
What are the key properties of (2R)-2-methyl-1,4-dihydro-3,1,2λ5-benzoxazaphosphinine 2-oxide?
(2R)-2-methyl-1,4-dihydro-3,1,2λ5-benzoxazaphosphinine 2-oxide has a molecular weight of 183.15 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1,4-dihydro-3,1,2λ5-benzoxazaphosphinine 2-oxide is sourced from PubChem (CID 118136458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).