tris(2-methylphenoxy)-(4-methylphenyl)phosphanium

C28H28O3P+ — CID 174390321

IUPACtris(2-methylphenoxy)-(4-methylphenyl)phosphanium
SMILESCc1ccc([P+](Oc2ccccc2C)(Oc2ccccc2C)Oc2ccccc2C)cc1
InChIInChI=1S/C28H28O3P/c1-21-17-19-25(20-18-21)32(29-26-14-8-5-11-22(26)2,30-27-15-9-6-12-23(27)3)31-28-16-10-7-13-24(28)4/h5-20H,1-4H3/q+1
InChIKeyWOKAWDCTJVLCOT-UHFFFAOYSA-N
MW443.50 g/mol
LogP7.55
Rot. Bonds7

About tris(2-methylphenoxy)-(4-methylphenyl)phosphanium

tris(2-methylphenoxy)-(4-methylphenyl)phosphanium (PubChem CID 174390321) has the molecular formula C28H28O3P+ and a molecular weight of 443.50 g/mol. Its IUPAC name is tris(2-methylphenoxy)-(4-methylphenyl)phosphanium.

Molecular Properties

Compound Nametris(2-methylphenoxy)-(4-methylphenyl)phosphanium
PubChem CID174390321
Molecular FormulaC28H28O3P+
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Nametris(2-methylphenoxy)-(4-methylphenyl)phosphanium
SMILESCc1ccc([P+](Oc2ccccc2C)(Oc2ccccc2C)Oc2ccccc2C)cc1
InChIInChI=1S/C28H28O3P/c1-21-17-19-25(20-18-21)32(29-26-14-8-5-11-22(26)2,30-27-15-9-6-12-23(27)3)31-28-16-10-7-13-24(28)4/h5-20H,1-4H3/q+1
InChIKeyWOKAWDCTJVLCOT-UHFFFAOYSA-N
XLogP7.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 174286143
CID 174286143
methane;1-methyl-2-[(2-methylphenoxy)methoxy]benzene;1,4-xylene
CID 162159087
1-(1-iodoethoxy)-2-methylbenzene
CID 135136268
ethane;1-methyl-2-(2-methylphenoxy)benzene
CID 90755051
tris(2-methylphenyl) phosphite dichloride
CID 23333528
(2R)-2-(2-methylphenoxy)-3-(4-methylphenyl)propanoic acid
CID 100525412
2,2-bis(2-methylphenoxy)ethylphosphane
CID 175048136
1-methyl-2-propan-2-yloxybenzene;trichlororuthenium
CID 175208112
2-O-(2-methylphenyl) 1-O-(4-methylphenyl) oxalate
CID 174691323
1-O-(2-methylphenyl) 4-O-(4-methylphenyl) 2,3-dihydroxybutanedioate
CID 174688717
4-methyl-N-[(2S)-2-(2-methylphenoxy)-2-phenylethyl]benzenesulfonamide
CID 57408238
(2S,3S)-2,3-bis(2-methylphenoxy)butanedioic acid
CID 69402969

Frequently Asked Questions

What is the IUPAC name of tris(2-methylphenoxy)-(4-methylphenyl)phosphanium?
The IUPAC name of tris(2-methylphenoxy)-(4-methylphenyl)phosphanium (CID 174390321) is tris(2-methylphenoxy)-(4-methylphenyl)phosphanium.
What is the SMILES notation for tris(2-methylphenoxy)-(4-methylphenyl)phosphanium?
The canonical SMILES for tris(2-methylphenoxy)-(4-methylphenyl)phosphanium is Cc1ccc([P+](Oc2ccccc2C)(Oc2ccccc2C)Oc2ccccc2C)cc1.
What is the InChIKey of tris(2-methylphenoxy)-(4-methylphenyl)phosphanium?
The InChIKey is WOKAWDCTJVLCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28O3P/c1-21-17-19-25(20-18-21)32(29-26-14-8-5-11-22(26)2,30-27-15-9-6-12-23(27)3)31-28-16-10-7-13-24(28)4/h5-20H,1-4H3/q+1.
What are the key properties of tris(2-methylphenoxy)-(4-methylphenyl)phosphanium?
tris(2-methylphenoxy)-(4-methylphenyl)phosphanium has a molecular weight of 443.50 g/mol, XLogP of 7.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylphenoxy)-(4-methylphenyl)phosphanium is sourced from PubChem (CID 174390321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).