chloro-(2,5-dimethoxyphenyl)-triphenyl-λ5-phosphane

C26H24ClO2P — CID 118733306

IUPACchloro-(2,5-dimethoxyphenyl)-triphenyl-λ5-phosphane
SMILESCOc1ccc(OC)c(P(Cl)(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H24ClO2P/c1-28-21-18-19-25(29-2)26(20-21)30(27,22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-20H,1-2H3
InChIKeyCGPRWXYKYMIONH-UHFFFAOYSA-N
MW434.90 g/mol
LogP5.01
Rot. Bonds6

About chloro-(2,5-dimethoxyphenyl)-triphenyl-λ5-phosphane

chloro-(2,5-dimethoxyphenyl)-triphenyl-λ5-phosphane (PubChem CID 118733306) has the molecular formula C26H24ClO2P and a molecular weight of 434.90 g/mol. Its IUPAC name is chloro-(2,5-dimethoxyphenyl)-triphenyl-λ5-phosphane.

Molecular Properties

Compound Namechloro-(2,5-dimethoxyphenyl)-triphenyl-λ5-phosphane
PubChem CID118733306
Molecular FormulaC26H24ClO2P
Molecular Weight434.90 g/mol
Exact Mass434.12
IUPAC Namechloro-(2,5-dimethoxyphenyl)-triphenyl-λ5-phosphane
SMILESCOc1ccc(OC)c(P(Cl)(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H24ClO2P/c1-28-21-18-19-25(29-2)26(20-21)30(27,22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-20H,1-2H3
InChIKeyCGPRWXYKYMIONH-UHFFFAOYSA-N
XLogP5.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.90
LogP ≤ 55.01
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-[4-chloro-2-[chloro(triphenyl)-λ5-phosphanyl]phenyl]-N-(4-methoxyphenyl)methanimine
CID 135082909
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
1,1'-biphenyl;1,4-dimethoxy-2-methylbenzene
CID 159369138
2,4-dimethoxy-1-trityloxybenzene
CID 67899248
chloro-[(6-methoxynaphthalen-2-yl)methyl]-triphenyl-λ5-phosphane
CID 139877593
CID 68585282
CID 68585282
2-[dichloro(phenyl)-λ4-tellanyl]-1,4-dimethoxybenzene
CID 162786996
2-[chloro(phenyl)methyl]-1,4-dimethoxybenzene
CID 61083516
1,4-dimethoxy-2-phenoxybenzene;molecular nitrogen
CID 70565966
2-[1-(2,5-dimethoxyphenyl)ethenyl]aniline
CID 86018625
2-(1-chloro-2,2,3,3-tetramethylcyclopropyl)-1,4-dimethoxybenzene
CID 15162635
(2,5-dimethoxyphenyl)-[2-[(2,5-dimethoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane
CID 173003302

Frequently Asked Questions

What is the IUPAC name of chloro-(2,5-dimethoxyphenyl)-triphenyl-λ5-phosphane?
The IUPAC name of chloro-(2,5-dimethoxyphenyl)-triphenyl-λ5-phosphane (CID 118733306) is chloro-(2,5-dimethoxyphenyl)-triphenyl-λ5-phosphane.
What is the SMILES notation for chloro-(2,5-dimethoxyphenyl)-triphenyl-λ5-phosphane?
The canonical SMILES for chloro-(2,5-dimethoxyphenyl)-triphenyl-λ5-phosphane is COc1ccc(OC)c(P(Cl)(c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of chloro-(2,5-dimethoxyphenyl)-triphenyl-λ5-phosphane?
The InChIKey is CGPRWXYKYMIONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClO2P/c1-28-21-18-19-25(29-2)26(20-21)30(27,22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-20H,1-2H3.
What are the key properties of chloro-(2,5-dimethoxyphenyl)-triphenyl-λ5-phosphane?
chloro-(2,5-dimethoxyphenyl)-triphenyl-λ5-phosphane has a molecular weight of 434.90 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2,5-dimethoxyphenyl)-triphenyl-λ5-phosphane is sourced from PubChem (CID 118733306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).