(2-bromophenyl)-bis(2,6-dimethoxyphenyl)phosphane

C22H22BrO4P — CID 151973130

IUPAC(2-bromophenyl)-bis(2,6-dimethoxyphenyl)phosphane
SMILESCOc1cccc(OC)c1P(c1ccccc1Br)c1c(OC)cccc1OC
InChIInChI=1S/C22H22BrO4P/c1-24-16-10-7-11-17(25-2)21(16)28(20-14-6-5-9-15(20)23)22-18(26-3)12-8-13-19(22)27-4/h5-14H,1-4H3
InChIKeyUBCDJGGDIBFKPE-UHFFFAOYSA-N
MW461.29 g/mol
LogP4.24
Rot. Bonds7

About (2-bromophenyl)-bis(2,6-dimethoxyphenyl)phosphane

(2-bromophenyl)-bis(2,6-dimethoxyphenyl)phosphane (PubChem CID 151973130) has the molecular formula C22H22BrO4P and a molecular weight of 461.29 g/mol. Its IUPAC name is (2-bromophenyl)-bis(2,6-dimethoxyphenyl)phosphane.

Molecular Properties

Compound Name(2-bromophenyl)-bis(2,6-dimethoxyphenyl)phosphane
PubChem CID151973130
Molecular FormulaC22H22BrO4P
Molecular Weight461.29 g/mol
Exact Mass460.04
IUPAC Name(2-bromophenyl)-bis(2,6-dimethoxyphenyl)phosphane
SMILESCOc1cccc(OC)c1P(c1ccccc1Br)c1c(OC)cccc1OC
InChIInChI=1S/C22H22BrO4P/c1-24-16-10-7-11-17(25-2)21(16)28(20-14-6-5-9-15(20)23)22-18(26-3)12-8-13-19(22)27-4/h5-14H,1-4H3
InChIKeyUBCDJGGDIBFKPE-UHFFFAOYSA-N
XLogP4.24
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.29
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-methoxybenzene;ethane
CID 91096433
2-bis(2,6-dimethoxyphenyl)phosphanyl-6-fluorophenol
CID 139543737
1,2-dibromo-3-methoxybenzene
CID 11958056
1-bromo-3-methoxy-2-methylbenzene
CID 18505255
lithium bis(2-methoxyphenyl)phosphinite
CID 22052788
2-[(2,6-dimethoxyphenyl)-phenylphosphanyl]-3-methoxyphenol
CID 12977583
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane
CID 134828499
2-diphenylphosphanyl-6-methoxyphenol
CID 58759318
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
azane;1,2-dimethoxybenzene
CID 174437926
1-bromo-2-[(2-methoxyphenyl)methyl]benzene
CID 165410095

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-bis(2,6-dimethoxyphenyl)phosphane?
The IUPAC name of (2-bromophenyl)-bis(2,6-dimethoxyphenyl)phosphane (CID 151973130) is (2-bromophenyl)-bis(2,6-dimethoxyphenyl)phosphane.
What is the SMILES notation for (2-bromophenyl)-bis(2,6-dimethoxyphenyl)phosphane?
The canonical SMILES for (2-bromophenyl)-bis(2,6-dimethoxyphenyl)phosphane is COc1cccc(OC)c1P(c1ccccc1Br)c1c(OC)cccc1OC.
What is the InChIKey of (2-bromophenyl)-bis(2,6-dimethoxyphenyl)phosphane?
The InChIKey is UBCDJGGDIBFKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrO4P/c1-24-16-10-7-11-17(25-2)21(16)28(20-14-6-5-9-15(20)23)22-18(26-3)12-8-13-19(22)27-4/h5-14H,1-4H3.
What are the key properties of (2-bromophenyl)-bis(2,6-dimethoxyphenyl)phosphane?
(2-bromophenyl)-bis(2,6-dimethoxyphenyl)phosphane has a molecular weight of 461.29 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-bis(2,6-dimethoxyphenyl)phosphane is sourced from PubChem (CID 151973130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).