[2-[2-[4-(methoxymethoxy)-2-phenylmethoxyphenyl]-2-oxoethoxy]-4-phenylmethoxyphenyl]methyl-triphenylphosphanium

C49H44O6P+ — CID 25138447

IUPAC[2-[2-[4-(methoxymethoxy)-2-phenylmethoxyphenyl]-2-oxoethoxy]-4-phenylmethoxyphenyl]methyl-triphenylphosphanium
SMILESCOCOc1ccc(C(=O)COc2cc(OCc3ccccc3)ccc2C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C49H44O6P/c1-51-37-55-42-29-30-46(49(32-42)53-34-39-19-9-3-10-20-39)47(50)35-54-48-31-41(52-33-38-17-7-2-8-18-38)28-27-40(48)36-56(43-21-11-4-12-22-43,44-23-13-5-14-24-44)45-25-15-6-16-26-45/h2-32H,33-37H2,1H3/q+1
InChIKeyQIYUNVMZRPNCNK-UHFFFAOYSA-N
MW759.86 g/mol
LogP9.58
Rot. Bonds18

About [2-[2-[4-(methoxymethoxy)-2-phenylmethoxyphenyl]-2-oxoethoxy]-4-phenylmethoxyphenyl]methyl-triphenylphosphanium

[2-[2-[4-(methoxymethoxy)-2-phenylmethoxyphenyl]-2-oxoethoxy]-4-phenylmethoxyphenyl]methyl-triphenylphosphanium (PubChem CID 25138447) has the molecular formula C49H44O6P+ and a molecular weight of 759.86 g/mol. Its IUPAC name is [2-[2-[4-(methoxymethoxy)-2-phenylmethoxyphenyl]-2-oxoethoxy]-4-phenylmethoxyphenyl]methyl-triphenylphosphanium.

Molecular Properties

Compound Name[2-[2-[4-(methoxymethoxy)-2-phenylmethoxyphenyl]-2-oxoethoxy]-4-phenylmethoxyphenyl]methyl-triphenylphosphanium
PubChem CID25138447
Molecular FormulaC49H44O6P+
Molecular Weight759.86 g/mol
Exact Mass759.29
IUPAC Name[2-[2-[4-(methoxymethoxy)-2-phenylmethoxyphenyl]-2-oxoethoxy]-4-phenylmethoxyphenyl]methyl-triphenylphosphanium
SMILESCOCOc1ccc(C(=O)COc2cc(OCc3ccccc3)ccc2C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C49H44O6P/c1-51-37-55-42-29-30-46(49(32-42)53-34-39-19-9-3-10-20-39)47(50)35-54-48-31-41(52-33-38-17-7-2-8-18-38)28-27-40(48)36-56(43-21-11-4-12-22-43,44-23-13-5-14-24-44)45-25-15-6-16-26-45/h2-32H,33-37H2,1H3/q+1
InChIKeyQIYUNVMZRPNCNK-UHFFFAOYSA-N
XLogP9.58
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.86
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(5-methoxy-2-phenylmethoxyphenyl)methyl-triphenylphosphanium
CID 122368996
[5-(methoxymethoxy)-2-(2-phenylacetyl)phenyl] benzoate
CID 21410801
1-[2-methoxy-4,6-bis(methoxymethoxy)phenyl]-2-phenylmethoxyethanone
CID 101440940
triphenyl-[(2-phenylmethoxyphenyl)methyl]phosphanium chloride
CID 19423967
1-[2,4-bis(phenylmethoxy)phenyl]octan-1-one
CID 141320093
2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
CID 22087415
[2-(methoxymethoxy)phenyl]methyl-triphenylphosphanium chloride
CID 19423996
1-[(Z)-2-[2,4-bis(phenylmethoxy)phenyl]ethenyl]-2-(methoxymethoxy)-4-phenylmethoxybenzene
CID 52916293
2-bromo-1-(4-butoxy-2-phenylmethoxyphenyl)ethanone
CID 139559458
(2-phenacyloxyphenyl)methyl-triphenylphosphanium
CID 172741164
methyl 2-phenylmethoxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate
CID 10596554
2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid
CID 10709345

Frequently Asked Questions

What is the IUPAC name of [2-[2-[4-(methoxymethoxy)-2-phenylmethoxyphenyl]-2-oxoethoxy]-4-phenylmethoxyphenyl]methyl-triphenylphosphanium?
The IUPAC name of [2-[2-[4-(methoxymethoxy)-2-phenylmethoxyphenyl]-2-oxoethoxy]-4-phenylmethoxyphenyl]methyl-triphenylphosphanium (CID 25138447) is [2-[2-[4-(methoxymethoxy)-2-phenylmethoxyphenyl]-2-oxoethoxy]-4-phenylmethoxyphenyl]methyl-triphenylphosphanium.
What is the SMILES notation for [2-[2-[4-(methoxymethoxy)-2-phenylmethoxyphenyl]-2-oxoethoxy]-4-phenylmethoxyphenyl]methyl-triphenylphosphanium?
The canonical SMILES for [2-[2-[4-(methoxymethoxy)-2-phenylmethoxyphenyl]-2-oxoethoxy]-4-phenylmethoxyphenyl]methyl-triphenylphosphanium is COCOc1ccc(C(=O)COc2cc(OCc3ccccc3)ccc2C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of [2-[2-[4-(methoxymethoxy)-2-phenylmethoxyphenyl]-2-oxoethoxy]-4-phenylmethoxyphenyl]methyl-triphenylphosphanium?
The InChIKey is QIYUNVMZRPNCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H44O6P/c1-51-37-55-42-29-30-46(49(32-42)53-34-39-19-9-3-10-20-39)47(50)35-54-48-31-41(52-33-38-17-7-2-8-18-38)28-27-40(48)36-56(43-21-11-4-12-22-43,44-23-13-5-14-24-44)45-25-15-6-16-26-45/h2-32H,33-37H2,1H3/q+1.
What are the key properties of [2-[2-[4-(methoxymethoxy)-2-phenylmethoxyphenyl]-2-oxoethoxy]-4-phenylmethoxyphenyl]methyl-triphenylphosphanium?
[2-[2-[4-(methoxymethoxy)-2-phenylmethoxyphenyl]-2-oxoethoxy]-4-phenylmethoxyphenyl]methyl-triphenylphosphanium has a molecular weight of 759.86 g/mol, XLogP of 9.58, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[4-(methoxymethoxy)-2-phenylmethoxyphenyl]-2-oxoethoxy]-4-phenylmethoxyphenyl]methyl-triphenylphosphanium is sourced from PubChem (CID 25138447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).