(3,4-dichlorophenyl)methyl-tris(3-methylphenyl)phosphanium chloride

C28H26Cl3P — CID 19009660

IUPAC(3,4-dichlorophenyl)methyl-tris(3-methylphenyl)phosphanium chloride
SMILESCc1cccc([P+](Cc2ccc(Cl)c(Cl)c2)(c2cccc(C)c2)c2cccc(C)c2)c1.[Cl-]
InChIInChI=1S/C28H26Cl2P.ClH/c1-20-7-4-10-24(15-20)31(25-11-5-8-21(2)16-25,26-12-6-9-22(3)17-26)19-23-13-14-27(29)28(30)18-23;/h4-18H,19H2,1-3H3;1H/q+1;/p-1
InChIKeyWBXOUXKRPHBOFT-UHFFFAOYSA-M
MW499.85 g/mol
LogP4.42
Rot. Bonds5

About (3,4-dichlorophenyl)methyl-tris(3-methylphenyl)phosphanium chloride

(3,4-dichlorophenyl)methyl-tris(3-methylphenyl)phosphanium chloride (PubChem CID 19009660) has the molecular formula C28H26Cl3P and a molecular weight of 499.85 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl-tris(3-methylphenyl)phosphanium chloride.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl-tris(3-methylphenyl)phosphanium chloride
PubChem CID19009660
Molecular FormulaC28H26Cl3P
Molecular Weight499.85 g/mol
Exact Mass498.08
IUPAC Name(3,4-dichlorophenyl)methyl-tris(3-methylphenyl)phosphanium chloride
SMILESCc1cccc([P+](Cc2ccc(Cl)c(Cl)c2)(c2cccc(C)c2)c2cccc(C)c2)c1.[Cl-]
InChIInChI=1S/C28H26Cl2P.ClH/c1-20-7-4-10-24(15-20)31(25-11-5-8-21(2)16-25,26-12-6-9-22(3)17-26)19-23-13-14-27(29)28(30)18-23;/h4-18H,19H2,1-3H3;1H/q+1;/p-1
InChIKeyWBXOUXKRPHBOFT-UHFFFAOYSA-M
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.85
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3-methoxyphenyl)methyl-tris(3-methylphenyl)phosphanium
CID 18958181
2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 63522087
4-[2-bromo-4-(3-methylphenyl)butyl]-1,2-dichlorobenzene
CID 63530265
1,2-dichloro-4-methylbenzene;1,3-xylene
CID 158244707
[2-chloro-4-(triphenylphosphaniumylmethyl)phenyl]methyl-triphenylphosphanium
CID 102469105
chloro-[(3,4-dichlorophenyl)methyl]-tris(3-methylphenyl)-λ5-phosphane
CID 15729723
3-(3,4-dichlorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 79422312
N-[1-(3,4-dichlorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63414967
(3-methylphenyl)methyl-triphenylphosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139734585
2-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1,4-dimethylbenzene
CID 63441847
1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2,4-dimethylbenzene
CID 63438267
2-[(3,4-dichlorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 63496513

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl-tris(3-methylphenyl)phosphanium chloride?
The IUPAC name of (3,4-dichlorophenyl)methyl-tris(3-methylphenyl)phosphanium chloride (CID 19009660) is (3,4-dichlorophenyl)methyl-tris(3-methylphenyl)phosphanium chloride.
What is the SMILES notation for (3,4-dichlorophenyl)methyl-tris(3-methylphenyl)phosphanium chloride?
The canonical SMILES for (3,4-dichlorophenyl)methyl-tris(3-methylphenyl)phosphanium chloride is Cc1cccc([P+](Cc2ccc(Cl)c(Cl)c2)(c2cccc(C)c2)c2cccc(C)c2)c1.[Cl-].
What is the InChIKey of (3,4-dichlorophenyl)methyl-tris(3-methylphenyl)phosphanium chloride?
The InChIKey is WBXOUXKRPHBOFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H26Cl2P.ClH/c1-20-7-4-10-24(15-20)31(25-11-5-8-21(2)16-25,26-12-6-9-22(3)17-26)19-23-13-14-27(29)28(30)18-23;/h4-18H,19H2,1-3H3;1H/q+1;/p-1.
What are the key properties of (3,4-dichlorophenyl)methyl-tris(3-methylphenyl)phosphanium chloride?
(3,4-dichlorophenyl)methyl-tris(3-methylphenyl)phosphanium chloride has a molecular weight of 499.85 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl-tris(3-methylphenyl)phosphanium chloride is sourced from PubChem (CID 19009660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).