hydroxy-(4-methylphenyl)-oxophosphanium;(4-methylphenoxy)-(4-methylphenyl)-oxophosphanium

C21H22O4P2+2 — CID 175313634

IUPAChydroxy-(4-methylphenyl)-oxophosphanium;(4-methylphenoxy)-(4-methylphenyl)-oxophosphanium
SMILESCc1ccc(O[P+](=O)c2ccc(C)cc2)cc1.Cc1ccc([P+](=O)O)cc1
InChIInChI=1S/C14H14O2P.C7H7O2P/c1-11-3-7-13(8-4-11)16-17(15)14-9-5-12(2)6-10-14;1-6-2-4-7(5-3-6)10(8)9/h3-10H,1-2H3;2-5H,1H3/q+1;/p+1
InChIKeyYDCKDHHGCRFWGI-UHFFFAOYSA-O
MW400.35 g/mol
LogP5.11
Rot. Bonds4

About hydroxy-(4-methylphenyl)-oxophosphanium;(4-methylphenoxy)-(4-methylphenyl)-oxophosphanium

hydroxy-(4-methylphenyl)-oxophosphanium;(4-methylphenoxy)-(4-methylphenyl)-oxophosphanium (PubChem CID 175313634) has the molecular formula C21H22O4P2+2 and a molecular weight of 400.35 g/mol. Its IUPAC name is hydroxy-(4-methylphenyl)-oxophosphanium;(4-methylphenoxy)-(4-methylphenyl)-oxophosphanium.

Molecular Properties

Compound Namehydroxy-(4-methylphenyl)-oxophosphanium;(4-methylphenoxy)-(4-methylphenyl)-oxophosphanium
PubChem CID175313634
Molecular FormulaC21H22O4P2+2
Molecular Weight400.35 g/mol
Exact Mass400.10
IUPAC Namehydroxy-(4-methylphenyl)-oxophosphanium;(4-methylphenoxy)-(4-methylphenyl)-oxophosphanium
SMILESCc1ccc(O[P+](=O)c2ccc(C)cc2)cc1.Cc1ccc([P+](=O)O)cc1
InChIInChI=1S/C14H14O2P.C7H7O2P/c1-11-3-7-13(8-4-11)16-17(15)14-9-5-12(2)6-10-14;1-6-2-4-7(5-3-6)10(8)9/h3-10H,1-2H3;2-5H,1H3/q+1;/p+1
InChIKeyYDCKDHHGCRFWGI-UHFFFAOYSA-O
XLogP5.11
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.35
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-[4-(4-methoxyphenyl)phenyl]-oxophosphanium
CID 70198034
dihydroxy(oxo)phosphanium;bis(1,4-xylene)
CID 174402873
ethoxy-(4-methylphenyl)-oxophosphanium
CID 13339000
phosphenous acid;1,4-xylene
CID 88744725
neodymium;(4-nonylphenoxy)-(4-nonylphenyl)-oxophosphanium
CID 87238694
hydroxy-oxo-(4-phenylphenyl)phosphanium
CID 19796179
(4-methylphenyl) hydrogen carbonate
CID 19016637
azane;cyclobutane;dihydroxy(oxo)phosphanium;1,4-xylene
CID 67894113
phosphane;tris(4-methylphenyl) phosphite
CID 174494653
[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 576898
dihydroxy(oxo)phosphanium;1-ethenyl-4-methylbenzene
CID 175432319
1-adamantyloxy-(4-methylphenyl)-oxophosphanium
CID 177441069

Frequently Asked Questions

What is the IUPAC name of hydroxy-(4-methylphenyl)-oxophosphanium;(4-methylphenoxy)-(4-methylphenyl)-oxophosphanium?
The IUPAC name of hydroxy-(4-methylphenyl)-oxophosphanium;(4-methylphenoxy)-(4-methylphenyl)-oxophosphanium (CID 175313634) is hydroxy-(4-methylphenyl)-oxophosphanium;(4-methylphenoxy)-(4-methylphenyl)-oxophosphanium.
What is the SMILES notation for hydroxy-(4-methylphenyl)-oxophosphanium;(4-methylphenoxy)-(4-methylphenyl)-oxophosphanium?
The canonical SMILES for hydroxy-(4-methylphenyl)-oxophosphanium;(4-methylphenoxy)-(4-methylphenyl)-oxophosphanium is Cc1ccc(O[P+](=O)c2ccc(C)cc2)cc1.Cc1ccc([P+](=O)O)cc1.
What is the InChIKey of hydroxy-(4-methylphenyl)-oxophosphanium;(4-methylphenoxy)-(4-methylphenyl)-oxophosphanium?
The InChIKey is YDCKDHHGCRFWGI-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H14O2P.C7H7O2P/c1-11-3-7-13(8-4-11)16-17(15)14-9-5-12(2)6-10-14;1-6-2-4-7(5-3-6)10(8)9/h3-10H,1-2H3;2-5H,1H3/q+1;/p+1.
What are the key properties of hydroxy-(4-methylphenyl)-oxophosphanium;(4-methylphenoxy)-(4-methylphenyl)-oxophosphanium?
hydroxy-(4-methylphenyl)-oxophosphanium;(4-methylphenoxy)-(4-methylphenyl)-oxophosphanium has a molecular weight of 400.35 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(4-methylphenyl)-oxophosphanium;(4-methylphenoxy)-(4-methylphenyl)-oxophosphanium is sourced from PubChem (CID 175313634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).