chloro-[(2-chlorophenyl)methyl]-triphenyl-lambda5-phosphane

C25H21Cl2P — CID 12629713

IUPACchloro-[(2-chlorophenyl)methyl]-triphenyl-lambda5-phosphane
SMILESClc1ccccc1CP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21Cl2P/c26-25-19-11-10-12-21(25)20-28(27,22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-19H,20H2
InChIKeyBDWJBMUNZDZGOU-UHFFFAOYSA-N
MW423.32 g/mol
LogP6.52
Rot. Bonds5

About chloro-[(2-chlorophenyl)methyl]-triphenyl-lambda5-phosphane

chloro-[(2-chlorophenyl)methyl]-triphenyl-lambda5-phosphane (PubChem CID 12629713) has the molecular formula C25H21Cl2P and a molecular weight of 423.32 g/mol. Its IUPAC name is chloro-[(2-chlorophenyl)methyl]-triphenyl-lambda5-phosphane.

Molecular Properties

Compound Namechloro-[(2-chlorophenyl)methyl]-triphenyl-lambda5-phosphane
PubChem CID12629713
Molecular FormulaC25H21Cl2P
Molecular Weight423.32 g/mol
Exact Mass422.08
IUPAC Namechloro-[(2-chlorophenyl)methyl]-triphenyl-lambda5-phosphane
SMILESClc1ccccc1CP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21Cl2P/c26-25-19-11-10-12-21(25)20-28(27,22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-19H,20H2
InChIKeyBDWJBMUNZDZGOU-UHFFFAOYSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.32
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 88515237
CID 88515237
1-chloro-2-(2-phenylethyl)benzene
CID 21495838
azane;2-(2-chlorophenyl)ethanamine
CID 70087147
chloro-[(6-chloro-4-methoxy-2,3-dimethylphenyl)methyl]-triphenyl-λ5-phosphane
CID 12651437
sodium;2-(2-chlorophenyl)acetic acid;hydride
CID 174699179
1-chloro-2-(2-chloroethyl)benzene
CID 12587535
S-[(2-chlorophenyl)methyl] carbamothioate
CID 174461551
[1-[(2-chlorophenyl)methyl]cyclopropyl]methanol
CID 66024776
chloro-[(1-methylpyrazol-3-yl)methyl]-triphenyl-lambda5-phosphane
CID 12845051
1-[(2-chlorophenyl)methyl]cyclopropan-1-amine
CID 23106132
3-[chloro(triphenyl)-lambda5-phosphanyl]propan-1-ol
CID 14735122
dichloro-bis[(2-chlorophenyl)methyl]stannane
CID 71347679

Frequently Asked Questions

What is the IUPAC name of chloro-[(2-chlorophenyl)methyl]-triphenyl-lambda5-phosphane?
The IUPAC name of chloro-[(2-chlorophenyl)methyl]-triphenyl-lambda5-phosphane (CID 12629713) is chloro-[(2-chlorophenyl)methyl]-triphenyl-lambda5-phosphane.
What is the SMILES notation for chloro-[(2-chlorophenyl)methyl]-triphenyl-lambda5-phosphane?
The canonical SMILES for chloro-[(2-chlorophenyl)methyl]-triphenyl-lambda5-phosphane is Clc1ccccc1CP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of chloro-[(2-chlorophenyl)methyl]-triphenyl-lambda5-phosphane?
The InChIKey is BDWJBMUNZDZGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2P/c26-25-19-11-10-12-21(25)20-28(27,22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-19H,20H2.
What are the key properties of chloro-[(2-chlorophenyl)methyl]-triphenyl-lambda5-phosphane?
chloro-[(2-chlorophenyl)methyl]-triphenyl-lambda5-phosphane has a molecular weight of 423.32 g/mol, XLogP of 6.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[(2-chlorophenyl)methyl]-triphenyl-lambda5-phosphane is sourced from PubChem (CID 12629713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).