(4-ethoxyphenyl)methyl-triphenylphosphanium chloride

C27H26ClOP — CID 18314543

IUPAC(4-ethoxyphenyl)methyl-triphenylphosphanium chloride
SMILESCCOc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-]
InChIInChI=1S/C27H26OP.ClH/c1-2-28-24-20-18-23(19-21-24)22-29(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27;/h3-21H,2,22H2,1H3;1H/q+1;/p-1
InChIKeyMUAHCGHHMGUQRW-UHFFFAOYSA-M
MW432.93 g/mol
LogP2.58
Rot. Bonds7

About (4-ethoxyphenyl)methyl-triphenylphosphanium chloride

(4-ethoxyphenyl)methyl-triphenylphosphanium chloride (PubChem CID 18314543) has the molecular formula C27H26ClOP and a molecular weight of 432.93 g/mol. Its IUPAC name is (4-ethoxyphenyl)methyl-triphenylphosphanium chloride.

Molecular Properties

Compound Name(4-ethoxyphenyl)methyl-triphenylphosphanium chloride
PubChem CID18314543
Molecular FormulaC27H26ClOP
Molecular Weight432.93 g/mol
Exact Mass432.14
IUPAC Name(4-ethoxyphenyl)methyl-triphenylphosphanium chloride
SMILESCCOc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-]
InChIInChI=1S/C27H26OP.ClH/c1-2-28-24-20-18-23(19-21-24)22-29(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27;/h3-21H,2,22H2,1H3;1H/q+1;/p-1
InChIKeyMUAHCGHHMGUQRW-UHFFFAOYSA-M
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.93
LogP ≤ 52.58
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

Benzene, 1,1'-oxybis[4-methyl-
CID 74098
Benzyl p-tolyl ether
CID 70036
1,1'-Biphenyl, mixt. with 1,1'-oxybis(benzene)
CID 24670
Hydroquinone dibenzyl ether
CID 69315
p-Phenoxytoluene
CID 74351
4,4'''-Bis((2-butyloctyl)oxy)-1,1':4',1'':4'',1'''-quaterphenyl
CID 86734
Feniculin
CID 91746961
Phosphine oxide, [(2-methoxyphenyl)methyl]diphenyl-
CID 796917
4-Ethoxystilbene
CID 20245531
4,4',4''-(1-Vinyl-2-ylidene)trianisole
CID 81543
(3-Phenoxypropyl)(triphenyl)phosphanium bromide
CID 3048782
(2-Phenoxyethyl)triphenylphosphonium bromide
CID 2778279

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)methyl-triphenylphosphanium chloride?
The IUPAC name of (4-ethoxyphenyl)methyl-triphenylphosphanium chloride (CID 18314543) is (4-ethoxyphenyl)methyl-triphenylphosphanium chloride.
What is the SMILES notation for (4-ethoxyphenyl)methyl-triphenylphosphanium chloride?
The canonical SMILES for (4-ethoxyphenyl)methyl-triphenylphosphanium chloride is CCOc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-].
What is the InChIKey of (4-ethoxyphenyl)methyl-triphenylphosphanium chloride?
The InChIKey is MUAHCGHHMGUQRW-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H26OP.ClH/c1-2-28-24-20-18-23(19-21-24)22-29(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27;/h3-21H,2,22H2,1H3;1H/q+1;/p-1.
What are the key properties of (4-ethoxyphenyl)methyl-triphenylphosphanium chloride?
(4-ethoxyphenyl)methyl-triphenylphosphanium chloride has a molecular weight of 432.93 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)methyl-triphenylphosphanium chloride is sourced from PubChem (CID 18314543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).