(2,6-dichloro-4-methoxyphenyl)methyl-triphenylphosphanium chloride

C26H22Cl3OP — CID 86735150

IUPAC(2,6-dichloro-4-methoxyphenyl)methyl-triphenylphosphanium chloride
SMILESCOc1cc(Cl)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(Cl)c1.[Cl-]
InChIInChI=1S/C26H22Cl2OP.ClH/c1-29-20-17-25(27)24(26(28)18-20)19-30(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23;/h2-18H,19H2,1H3;1H/q+1;/p-1
InChIKeyZHCHSHOTVMQENC-UHFFFAOYSA-M
MW487.79 g/mol
LogP3.50
Rot. Bonds6

About (2,6-dichloro-4-methoxyphenyl)methyl-triphenylphosphanium chloride

(2,6-dichloro-4-methoxyphenyl)methyl-triphenylphosphanium chloride (PubChem CID 86735150) has the molecular formula C26H22Cl3OP and a molecular weight of 487.79 g/mol. Its IUPAC name is (2,6-dichloro-4-methoxyphenyl)methyl-triphenylphosphanium chloride.

Molecular Properties

Compound Name(2,6-dichloro-4-methoxyphenyl)methyl-triphenylphosphanium chloride
PubChem CID86735150
Molecular FormulaC26H22Cl3OP
Molecular Weight487.79 g/mol
Exact Mass486.05
IUPAC Name(2,6-dichloro-4-methoxyphenyl)methyl-triphenylphosphanium chloride
SMILESCOc1cc(Cl)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(Cl)c1.[Cl-]
InChIInChI=1S/C26H22Cl2OP.ClH/c1-29-20-17-25(27)24(26(28)18-20)19-30(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23;/h2-18H,19H2,1H3;1H/q+1;/p-1
InChIKeyZHCHSHOTVMQENC-UHFFFAOYSA-M
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.79
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-5-methoxyphenyl)methyl-triphenylphosphanium
CID 58901861
(2,6-dichloro-3-methoxyphenyl)methyl-triphenylphosphanium
CID 87899067
(2-chloro-4-methoxy-3,6-dimethylphenyl)methyl-triphenylphosphanium
CID 86735157
(5-methoxy-2-pyridinyl)methyl-triphenylphosphanium chloride
CID 22678705
triphenyl-[(2,4,5-trimethoxyphenyl)methyl]phosphanium;chloride;hydrate
CID 139062047
triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium chloride
CID 10552678
(4-methoxyphenyl)methyl-(3-methylphenyl)-diphenylphosphanium
CID 91016846
(2-amino-6-methoxyphenyl)methyl-triphenylphosphanium
CID 10227540
(3,5-dimethoxy-4-methylphenyl)methyl-triphenylphosphanium
CID 161133355
2-chloro-1-(1-chloro-2-phenylethyl)-4-methoxybenzene
CID 63434208
2-(2,6-dichloro-4-methoxyphenyl)ethanamine
CID 82616097
triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium;hydrochloride
CID 126958760

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-4-methoxyphenyl)methyl-triphenylphosphanium chloride?
The IUPAC name of (2,6-dichloro-4-methoxyphenyl)methyl-triphenylphosphanium chloride (CID 86735150) is (2,6-dichloro-4-methoxyphenyl)methyl-triphenylphosphanium chloride.
What is the SMILES notation for (2,6-dichloro-4-methoxyphenyl)methyl-triphenylphosphanium chloride?
The canonical SMILES for (2,6-dichloro-4-methoxyphenyl)methyl-triphenylphosphanium chloride is COc1cc(Cl)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(Cl)c1.[Cl-].
What is the InChIKey of (2,6-dichloro-4-methoxyphenyl)methyl-triphenylphosphanium chloride?
The InChIKey is ZHCHSHOTVMQENC-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H22Cl2OP.ClH/c1-29-20-17-25(27)24(26(28)18-20)19-30(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23;/h2-18H,19H2,1H3;1H/q+1;/p-1.
What are the key properties of (2,6-dichloro-4-methoxyphenyl)methyl-triphenylphosphanium chloride?
(2,6-dichloro-4-methoxyphenyl)methyl-triphenylphosphanium chloride has a molecular weight of 487.79 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-4-methoxyphenyl)methyl-triphenylphosphanium chloride is sourced from PubChem (CID 86735150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).