[1-(3-methoxyphenyl)-2-(2-methylphenyl)ethoxy]-triphenylphosphanium

C34H32O2P+ — CID 123339905

IUPAC[1-(3-methoxyphenyl)-2-(2-methylphenyl)ethoxy]-triphenylphosphanium
SMILESCOc1cccc(C(Cc2ccccc2C)O[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C34H32O2P/c1-27-15-12-13-16-28(27)26-34(29-17-14-18-30(25-29)35-2)36-37(31-19-6-3-7-20-31,32-21-8-4-9-22-32)33-23-10-5-11-24-33/h3-25,34H,26H2,1-2H3/q+1
InChIKeyUXEYAACMJDPKOF-UHFFFAOYSA-N
MW503.60 g/mol
LogP7.21
Rot. Bonds9

About [1-(3-methoxyphenyl)-2-(2-methylphenyl)ethoxy]-triphenylphosphanium

[1-(3-methoxyphenyl)-2-(2-methylphenyl)ethoxy]-triphenylphosphanium (PubChem CID 123339905) has the molecular formula C34H32O2P+ and a molecular weight of 503.60 g/mol. Its IUPAC name is [1-(3-methoxyphenyl)-2-(2-methylphenyl)ethoxy]-triphenylphosphanium.

Molecular Properties

Compound Name[1-(3-methoxyphenyl)-2-(2-methylphenyl)ethoxy]-triphenylphosphanium
PubChem CID123339905
Molecular FormulaC34H32O2P+
Molecular Weight503.60 g/mol
Exact Mass503.21
IUPAC Name[1-(3-methoxyphenyl)-2-(2-methylphenyl)ethoxy]-triphenylphosphanium
SMILESCOc1cccc(C(Cc2ccccc2C)O[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C34H32O2P/c1-27-15-12-13-16-28(27)26-34(29-17-14-18-30(25-29)35-2)36-37(31-19-6-3-7-20-31,32-21-8-4-9-22-32)33-23-10-5-11-24-33/h3-25,34H,26H2,1-2H3/q+1
InChIKeyUXEYAACMJDPKOF-UHFFFAOYSA-N
XLogP7.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.60
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-bromo-2-(2-methylphenyl)ethyl]-3-propan-2-yloxybenzene
CID 63544543
1-(3-methoxyphenyl)-N,N-dimethyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 43823561
(1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 105371258
2-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 62529007
N-[(2,3-dimethylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 60960692
N-[(3-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)-2-phenylpropanamide
CID 4252456
1-(2,5-dimethoxyphenyl)-2-(2-methylphenyl)ethanol
CID 61100911
1-(2-bromo-1-propan-2-yloxyethyl)-3-methoxybenzene
CID 62113687
2-(2-bromophenyl)-1-(3-methoxyphenyl)ethanamine
CID 55026907
2-[1-bromo-2-(2-methylphenyl)ethyl]-1,3-difluoro-5-methoxybenzene
CID 63435375
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(2-methylphenyl)propanamide
CID 110663371
[1-(2,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105208488

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxyphenyl)-2-(2-methylphenyl)ethoxy]-triphenylphosphanium?
The IUPAC name of [1-(3-methoxyphenyl)-2-(2-methylphenyl)ethoxy]-triphenylphosphanium (CID 123339905) is [1-(3-methoxyphenyl)-2-(2-methylphenyl)ethoxy]-triphenylphosphanium.
What is the SMILES notation for [1-(3-methoxyphenyl)-2-(2-methylphenyl)ethoxy]-triphenylphosphanium?
The canonical SMILES for [1-(3-methoxyphenyl)-2-(2-methylphenyl)ethoxy]-triphenylphosphanium is COc1cccc(C(Cc2ccccc2C)O[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [1-(3-methoxyphenyl)-2-(2-methylphenyl)ethoxy]-triphenylphosphanium?
The InChIKey is UXEYAACMJDPKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32O2P/c1-27-15-12-13-16-28(27)26-34(29-17-14-18-30(25-29)35-2)36-37(31-19-6-3-7-20-31,32-21-8-4-9-22-32)33-23-10-5-11-24-33/h3-25,34H,26H2,1-2H3/q+1.
What are the key properties of [1-(3-methoxyphenyl)-2-(2-methylphenyl)ethoxy]-triphenylphosphanium?
[1-(3-methoxyphenyl)-2-(2-methylphenyl)ethoxy]-triphenylphosphanium has a molecular weight of 503.60 g/mol, XLogP of 7.21, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxyphenyl)-2-(2-methylphenyl)ethoxy]-triphenylphosphanium is sourced from PubChem (CID 123339905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).