(4-bromo-2,6-dimethoxyphenyl)methyl-chloro-triphenyl-λ5-phosphane

C27H25BrClO2P — CID 164719987

IUPAC(4-bromo-2,6-dimethoxyphenyl)methyl-chloro-triphenyl-λ5-phosphane
SMILESCOc1cc(Br)cc(OC)c1CP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H25BrClO2P/c1-30-26-18-21(28)19-27(31-2)25(26)20-32(29,22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-19H,20H2,1-2H3
InChIKeyMNSRXUJPUUXNNR-UHFFFAOYSA-N
MW527.83 g/mol
LogP6.65
Rot. Bonds7

About (4-bromo-2,6-dimethoxyphenyl)methyl-chloro-triphenyl-λ5-phosphane

(4-bromo-2,6-dimethoxyphenyl)methyl-chloro-triphenyl-λ5-phosphane (PubChem CID 164719987) has the molecular formula C27H25BrClO2P and a molecular weight of 527.83 g/mol. Its IUPAC name is (4-bromo-2,6-dimethoxyphenyl)methyl-chloro-triphenyl-λ5-phosphane.

Molecular Properties

Compound Name(4-bromo-2,6-dimethoxyphenyl)methyl-chloro-triphenyl-λ5-phosphane
PubChem CID164719987
Molecular FormulaC27H25BrClO2P
Molecular Weight527.83 g/mol
Exact Mass526.05
IUPAC Name(4-bromo-2,6-dimethoxyphenyl)methyl-chloro-triphenyl-λ5-phosphane
SMILESCOc1cc(Br)cc(OC)c1CP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H25BrClO2P/c1-30-26-18-21(28)19-27(31-2)25(26)20-32(29,22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-19H,20H2,1-2H3
InChIKeyMNSRXUJPUUXNNR-UHFFFAOYSA-N
XLogP6.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.83
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-bromo-2,6-dimethoxyphenyl)methyl-chloro-triphenyl-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2',6'-Dimethoxy-[1,1'-biphenyl]-2-yl)diphenylphosphine
CID 71651621
[2-(2,6-Dimethoxyphenyl)phenyl]-bis(2-methoxyphenyl)phosphane
CID 86229779
1,3-Bis(benzyloxy)-5-bromobenzene
CID 11143141
1-[4-[(4-bromo-2,6-difluoro-3,5-dimethoxyphenyl)methyl]phenyl]-1,1-diphenyl-3,4-dihydro-2H-1lambda5-phosphinine
CID 145168811
(4-Bromo-2-fluoro-6-methoxyphenyl)methyl-triphenylphosphanium
CID 166722649
[2-(4-Bromo-2-fluoro-6-methoxyphenyl)phenyl]-methyl-diphenylphosphanium
CID 175386063
1,3-Bis-benzyloxy-5-bromo-methyl-benzene
CID 129826395
1,5-Bis[(4-bromophenyl)methyl]-2,4-dimethoxybenzene
CID 134865576
1-[(4-Bromophenyl)methyl]-2,4-dimethoxybenzene
CID 135036927
4'-Bromo-2,6-dimethoxy-1,1'-biphenyl
CID 12192582
1-Bromo-3,5-dimethoxy-2-(phenylmethoxymethyl)benzene
CID 19093036
4-Bromo-2-(3,5-dimethoxyphenoxy)benzyl Bromide
CID 23431843

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-dimethoxyphenyl)methyl-chloro-triphenyl-λ5-phosphane?
The IUPAC name of (4-bromo-2,6-dimethoxyphenyl)methyl-chloro-triphenyl-λ5-phosphane (CID 164719987) is (4-bromo-2,6-dimethoxyphenyl)methyl-chloro-triphenyl-λ5-phosphane.
What is the SMILES notation for (4-bromo-2,6-dimethoxyphenyl)methyl-chloro-triphenyl-λ5-phosphane?
The canonical SMILES for (4-bromo-2,6-dimethoxyphenyl)methyl-chloro-triphenyl-λ5-phosphane is COc1cc(Br)cc(OC)c1CP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4-bromo-2,6-dimethoxyphenyl)methyl-chloro-triphenyl-λ5-phosphane?
The InChIKey is MNSRXUJPUUXNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25BrClO2P/c1-30-26-18-21(28)19-27(31-2)25(26)20-32(29,22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-19H,20H2,1-2H3.
What are the key properties of (4-bromo-2,6-dimethoxyphenyl)methyl-chloro-triphenyl-λ5-phosphane?
(4-bromo-2,6-dimethoxyphenyl)methyl-chloro-triphenyl-λ5-phosphane has a molecular weight of 527.83 g/mol, XLogP of 6.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-dimethoxyphenyl)methyl-chloro-triphenyl-λ5-phosphane is sourced from PubChem (CID 164719987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).