(2-chloro-5-methoxyphenyl)methyl-triphenylphosphanium

C26H23ClOP+ — CID 58901861

IUPAC(2-chloro-5-methoxyphenyl)methyl-triphenylphosphanium
SMILESCOc1ccc(Cl)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H23ClOP/c1-28-22-17-18-26(27)21(19-22)20-29(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-19H,20H2,1H3/q+1
InChIKeyOADGXBQDCRUNCO-UHFFFAOYSA-N
MW417.90 g/mol
LogP5.84
Rot. Bonds6

About (2-chloro-5-methoxyphenyl)methyl-triphenylphosphanium

(2-chloro-5-methoxyphenyl)methyl-triphenylphosphanium (PubChem CID 58901861) has the molecular formula C26H23ClOP+ and a molecular weight of 417.90 g/mol. Its IUPAC name is (2-chloro-5-methoxyphenyl)methyl-triphenylphosphanium.

Molecular Properties

Compound Name(2-chloro-5-methoxyphenyl)methyl-triphenylphosphanium
PubChem CID58901861
Molecular FormulaC26H23ClOP+
Molecular Weight417.90 g/mol
Exact Mass417.12
IUPAC Name(2-chloro-5-methoxyphenyl)methyl-triphenylphosphanium
SMILESCOc1ccc(Cl)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H23ClOP/c1-28-22-17-18-26(27)21(19-22)20-29(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-19H,20H2,1H3/q+1
InChIKeyOADGXBQDCRUNCO-UHFFFAOYSA-N
XLogP5.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.90
LogP ≤ 55.84
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

(2,6-dichloro-4-methoxyphenyl)methyl-triphenylphosphanium chloride
CID 86735150
(5-methoxy-2-phenylmethoxyphenyl)methyl-triphenylphosphanium
CID 122368996
2-[(2-chloro-5-methoxyphenyl)methyl]propanedioic acid
CID 67770104
(2,6-dichloro-3-methoxyphenyl)methyl-triphenylphosphanium
CID 87899067
[1-[(2-chlorophenyl)methyl]-5-(3-methoxyphenyl)pyrazol-3-yl]methyl-triphenylphosphanium
CID 134587065
(2-methoxyphenyl)methyl-triphenylphosphanium;hydrobromide
CID 175467384
triphenyl-[(2,4,5-trimethoxyphenyl)methyl]phosphanium;chloride;hydrate
CID 139062047
2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride
CID 11687211
[2-chloro-4-(triphenylphosphaniumylmethyl)phenyl]methyl-triphenylphosphanium
CID 102469105
(4-methoxyphenyl)methyl-(3-methylphenyl)-diphenylphosphanium
CID 91016846
(5-methoxy-2-pyridinyl)methyl-triphenylphosphanium chloride
CID 22678705
2-(3-bromopropyl)-1-chloro-4-methoxybenzene
CID 22923967

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-methoxyphenyl)methyl-triphenylphosphanium?
The IUPAC name of (2-chloro-5-methoxyphenyl)methyl-triphenylphosphanium (CID 58901861) is (2-chloro-5-methoxyphenyl)methyl-triphenylphosphanium.
What is the SMILES notation for (2-chloro-5-methoxyphenyl)methyl-triphenylphosphanium?
The canonical SMILES for (2-chloro-5-methoxyphenyl)methyl-triphenylphosphanium is COc1ccc(Cl)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (2-chloro-5-methoxyphenyl)methyl-triphenylphosphanium?
The InChIKey is OADGXBQDCRUNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClOP/c1-28-22-17-18-26(27)21(19-22)20-29(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-19H,20H2,1H3/q+1.
What are the key properties of (2-chloro-5-methoxyphenyl)methyl-triphenylphosphanium?
(2-chloro-5-methoxyphenyl)methyl-triphenylphosphanium has a molecular weight of 417.90 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-methoxyphenyl)methyl-triphenylphosphanium is sourced from PubChem (CID 58901861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).