[2-(4-bromo-2,6-dimethoxyphenyl)phenyl]-methyl-diphenylphosphanium

C27H25BrO2P+ — CID 175346619

IUPAC[2-(4-bromo-2,6-dimethoxyphenyl)phenyl]-methyl-diphenylphosphanium
SMILESCOc1cc(Br)cc(OC)c1-c1ccccc1[P+](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H25BrO2P/c1-29-24-18-20(28)19-25(30-2)27(24)23-16-10-11-17-26(23)31(3,21-12-6-4-7-13-21)22-14-8-5-9-15-22/h4-19H,1-3H3/q+1
InChIKeyPBRHAMVJHBUNGS-UHFFFAOYSA-N
MW492.37 g/mol
LogP6.06
Rot. Bonds6

About [2-(4-bromo-2,6-dimethoxyphenyl)phenyl]-methyl-diphenylphosphanium

[2-(4-bromo-2,6-dimethoxyphenyl)phenyl]-methyl-diphenylphosphanium (PubChem CID 175346619) has the molecular formula C27H25BrO2P+ and a molecular weight of 492.37 g/mol. Its IUPAC name is [2-(4-bromo-2,6-dimethoxyphenyl)phenyl]-methyl-diphenylphosphanium.

Molecular Properties

Compound Name[2-(4-bromo-2,6-dimethoxyphenyl)phenyl]-methyl-diphenylphosphanium
PubChem CID175346619
Molecular FormulaC27H25BrO2P+
Molecular Weight492.37 g/mol
Exact Mass491.08
IUPAC Name[2-(4-bromo-2,6-dimethoxyphenyl)phenyl]-methyl-diphenylphosphanium
SMILESCOc1cc(Br)cc(OC)c1-c1ccccc1[P+](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H25BrO2P/c1-29-24-18-20(28)19-25(30-2)27(24)23-16-10-11-17-26(23)31(3,21-12-6-4-7-13-21)22-14-8-5-9-15-22/h4-19H,1-3H3/q+1
InChIKeyPBRHAMVJHBUNGS-UHFFFAOYSA-N
XLogP6.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.37
LogP ≤ 56.06
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

dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]-phenylphosphanium
CID 146458339
(2-methoxyphenyl)-triphenylphosphanium bromide
CID 18355982
4-bromo-2-methoxy-1-phenylbenzene
CID 18379655
4-bromo-2-methoxy-6-methyl-N-(2-methyl-1-phenylpropyl)aniline
CID 63450033
[2-(5-chloro-1,2,4-thiadiazol-3-yl)phenyl]-methyl-diphenylphosphanium
CID 172682585
bis(2-methoxyphenyl)-dimethylphosphanium
CID 102310602
2-bromo-1,3-bis(2,6-dimethoxyphenyl)benzene
CID 51042386
[2-(N-(4-bromophenyl)anilino)phenyl]-methyl-diphenylphosphanium
CID 102341261
5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563
2,7-dibromo-4-methoxyfluoren-9-one
CID 175173621
[2-(8-methoxynaphthalen-1-yl)phenyl]-triphenylphosphanium
CID 156571682
[2-(2-bromo-4,5-dimethoxyphenyl)phenyl]boronic acid
CID 135042244

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2,6-dimethoxyphenyl)phenyl]-methyl-diphenylphosphanium?
The IUPAC name of [2-(4-bromo-2,6-dimethoxyphenyl)phenyl]-methyl-diphenylphosphanium (CID 175346619) is [2-(4-bromo-2,6-dimethoxyphenyl)phenyl]-methyl-diphenylphosphanium.
What is the SMILES notation for [2-(4-bromo-2,6-dimethoxyphenyl)phenyl]-methyl-diphenylphosphanium?
The canonical SMILES for [2-(4-bromo-2,6-dimethoxyphenyl)phenyl]-methyl-diphenylphosphanium is COc1cc(Br)cc(OC)c1-c1ccccc1[P+](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(4-bromo-2,6-dimethoxyphenyl)phenyl]-methyl-diphenylphosphanium?
The InChIKey is PBRHAMVJHBUNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25BrO2P/c1-29-24-18-20(28)19-25(30-2)27(24)23-16-10-11-17-26(23)31(3,21-12-6-4-7-13-21)22-14-8-5-9-15-22/h4-19H,1-3H3/q+1.
What are the key properties of [2-(4-bromo-2,6-dimethoxyphenyl)phenyl]-methyl-diphenylphosphanium?
[2-(4-bromo-2,6-dimethoxyphenyl)phenyl]-methyl-diphenylphosphanium has a molecular weight of 492.37 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2,6-dimethoxyphenyl)phenyl]-methyl-diphenylphosphanium is sourced from PubChem (CID 175346619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).