hydroxy(oxo)phosphanium;phenoxybenzene

C12H12O3P+ — CID 162014005

IUPAChydroxy(oxo)phosphanium;phenoxybenzene
SMILESO=[PH+]O.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.HO2P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-2/h1-10H;3H/p+1
InChIKeyHQRRBHAQQSXYAF-UHFFFAOYSA-O
MW235.20 g/mol
LogP3.40
Rot. Bonds2

About hydroxy(oxo)phosphanium;phenoxybenzene

hydroxy(oxo)phosphanium;phenoxybenzene (PubChem CID 162014005) has the molecular formula C12H12O3P+ and a molecular weight of 235.20 g/mol. Its IUPAC name is hydroxy(oxo)phosphanium;phenoxybenzene.

Molecular Properties

Compound Namehydroxy(oxo)phosphanium;phenoxybenzene
PubChem CID162014005
Molecular FormulaC12H12O3P+
Molecular Weight235.20 g/mol
Exact Mass235.05
IUPAC Namehydroxy(oxo)phosphanium;phenoxybenzene
SMILESO=[PH+]O.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.HO2P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-2/h1-10H;3H/p+1
InChIKeyHQRRBHAQQSXYAF-UHFFFAOYSA-O
XLogP3.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

oxophosphanium;phenoxybenzene
CID 161329594
CID 159259752
CID 159259752
iron;phenoxybenzene
CID 174434720
potassium phenoxybenzene
CID 19858586
boric acid;phenoxybenzene
CID 66799508
azane;phenoxybenzene;sulfuric acid
CID 66973780
potassium;hydride;phenoxybenzene
CID 173391576
phenoxybenzene;propane-2,2-diol
CID 174556232
isocyanic acid;phenoxybenzene
CID 174909585
[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 11571089
phenoxybenzene;prop-2-enoic acid
CID 66735010
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627

Frequently Asked Questions

What is the IUPAC name of hydroxy(oxo)phosphanium;phenoxybenzene?
The IUPAC name of hydroxy(oxo)phosphanium;phenoxybenzene (CID 162014005) is hydroxy(oxo)phosphanium;phenoxybenzene.
What is the SMILES notation for hydroxy(oxo)phosphanium;phenoxybenzene?
The canonical SMILES for hydroxy(oxo)phosphanium;phenoxybenzene is O=[PH+]O.c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of hydroxy(oxo)phosphanium;phenoxybenzene?
The InChIKey is HQRRBHAQQSXYAF-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H10O.HO2P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-2/h1-10H;3H/p+1.
What are the key properties of hydroxy(oxo)phosphanium;phenoxybenzene?
hydroxy(oxo)phosphanium;phenoxybenzene has a molecular weight of 235.20 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy(oxo)phosphanium;phenoxybenzene is sourced from PubChem (CID 162014005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).