2-hydroxy-1,4-dihydro-3,1,2λ5-benzoxazaphosphinine 2-oxide

C7H8NO3P — CID 90710618

IUPAC2-hydroxy-1,4-dihydro-3,1,2λ5-benzoxazaphosphinine 2-oxide
SMILESO=P1(O)Nc2ccccc2CO1
InChIInChI=1S/C7H8NO3P/c9-12(10)8-7-4-2-1-3-6(7)5-11-12/h1-4H,5H2,(H2,8,9,10)
InChIKeyIHTFXOMTIDAARQ-UHFFFAOYSA-N
MW185.12 g/mol
LogP1.73
Rot. Bonds

About 2-hydroxy-1,4-dihydro-3,1,2λ5-benzoxazaphosphinine 2-oxide

2-hydroxy-1,4-dihydro-3,1,2λ5-benzoxazaphosphinine 2-oxide (PubChem CID 90710618) has the molecular formula C7H8NO3P and a molecular weight of 185.12 g/mol. Its IUPAC name is 2-hydroxy-1,4-dihydro-3,1,2λ5-benzoxazaphosphinine 2-oxide.

Molecular Properties

Compound Name2-hydroxy-1,4-dihydro-3,1,2λ5-benzoxazaphosphinine 2-oxide
PubChem CID90710618
Molecular FormulaC7H8NO3P
Molecular Weight185.12 g/mol
Exact Mass185.02
IUPAC Name2-hydroxy-1,4-dihydro-3,1,2λ5-benzoxazaphosphinine 2-oxide
SMILESO=P1(O)Nc2ccccc2CO1
InChIInChI=1S/C7H8NO3P/c9-12(10)8-7-4-2-1-3-6(7)5-11-12/h1-4H,5H2,(H2,8,9,10)
InChIKeyIHTFXOMTIDAARQ-UHFFFAOYSA-N
XLogP1.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.12
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-bis(phenylmethoxy)phosphorylaniline
CID 275754
(2-Aminophenyl)methyl hypofluorite
CID 174940511
o-Aminobenzylphosphoric acid
CID 129664188
N,N-bis(2-chloroethyl)-2-oxo-1,4-dihydro-3,1,2lambda5-benzoxazaphosphinin-2-amine
CID 317287
2-Methylsulfanyl-1,4-dihydro-benzo[d][1,3,2]oxazaphosphinine 2-sulfide
CID 13810827
(4-Aminophenyl)methyl dihydrogen phosphate
CID 20445680
(3-Aminophenyl)methyl dihydrogen phosphate
CID 20445689
[(2-Aminophenyl)-hydroxy-phosphonomethyl]phosphonic acid
CID 56630108
Bis[(2-aminophenyl)methoxy]-oxophosphanium
CID 57249184
(2-Aminophenyl)methyl hypobromite
CID 57255026
(2-Aminophenyl)methyl sulfite
CID 57291103
2-Tert-butyl-1,4-dihydro-3,1,2lambda5-benzoxazaphosphinine 2-oxide
CID 57915613

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,4-dihydro-3,1,2λ5-benzoxazaphosphinine 2-oxide?
The IUPAC name of 2-hydroxy-1,4-dihydro-3,1,2λ5-benzoxazaphosphinine 2-oxide (CID 90710618) is 2-hydroxy-1,4-dihydro-3,1,2λ5-benzoxazaphosphinine 2-oxide.
What is the SMILES notation for 2-hydroxy-1,4-dihydro-3,1,2λ5-benzoxazaphosphinine 2-oxide?
The canonical SMILES for 2-hydroxy-1,4-dihydro-3,1,2λ5-benzoxazaphosphinine 2-oxide is O=P1(O)Nc2ccccc2CO1.
What is the InChIKey of 2-hydroxy-1,4-dihydro-3,1,2λ5-benzoxazaphosphinine 2-oxide?
The InChIKey is IHTFXOMTIDAARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8NO3P/c9-12(10)8-7-4-2-1-3-6(7)5-11-12/h1-4H,5H2,(H2,8,9,10).
What are the key properties of 2-hydroxy-1,4-dihydro-3,1,2λ5-benzoxazaphosphinine 2-oxide?
2-hydroxy-1,4-dihydro-3,1,2λ5-benzoxazaphosphinine 2-oxide has a molecular weight of 185.12 g/mol, XLogP of 1.73, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,4-dihydro-3,1,2λ5-benzoxazaphosphinine 2-oxide is sourced from PubChem (CID 90710618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).