dibenzyl [bis(2-chloroethyl)-dihydroxy-λ5-phosphanyl] phosphite

C18H24Cl2O5P2 — CID 88675839

IUPACdibenzyl [bis(2-chloroethyl)-dihydroxy-λ5-phosphanyl] phosphite
SMILESOP(O)(CCCl)(CCCl)OP(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H24Cl2O5P2/c19-11-13-27(21,22,14-12-20)25-26(23-15-17-7-3-1-4-8-17)24-16-18-9-5-2-6-10-18/h1-10,21-22H,11-16H2
InChIKeyYINFLQUQCPTBKW-UHFFFAOYSA-N
MW453.24 g/mol
LogP5.42
Rot. Bonds12

About dibenzyl [bis(2-chloroethyl)-dihydroxy-λ5-phosphanyl] phosphite

dibenzyl [bis(2-chloroethyl)-dihydroxy-λ5-phosphanyl] phosphite (PubChem CID 88675839) has the molecular formula C18H24Cl2O5P2 and a molecular weight of 453.24 g/mol. Its IUPAC name is dibenzyl [bis(2-chloroethyl)-dihydroxy-λ5-phosphanyl] phosphite.

Molecular Properties

Compound Namedibenzyl [bis(2-chloroethyl)-dihydroxy-λ5-phosphanyl] phosphite
PubChem CID88675839
Molecular FormulaC18H24Cl2O5P2
Molecular Weight453.24 g/mol
Exact Mass452.05
IUPAC Namedibenzyl [bis(2-chloroethyl)-dihydroxy-λ5-phosphanyl] phosphite
SMILESOP(O)(CCCl)(CCCl)OP(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H24Cl2O5P2/c19-11-13-27(21,22,14-12-20)25-26(23-15-17-7-3-1-4-8-17)24-16-18-9-5-2-6-10-18/h1-10,21-22H,11-16H2
InChIKeyYINFLQUQCPTBKW-UHFFFAOYSA-N
XLogP5.42
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.24
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze dibenzyl [bis(2-chloroethyl)-dihydroxy-λ5-phosphanyl] phosphite 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

tribenzyl phosphite
CID 11810300
phenylmethoxyphosphonamidous acid
CID 91418701
benzyl bis(prop-2-enyl) phosphite
CID 18961624
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
dibenzyl 1-[di(propan-2-yl)amino]ethyl phosphite
CID 174548244
benzyl methyl phenyl phosphite
CID 19107157
benzyl 2-chloroacetate
CID 8786
benzyl chloromethyl heptyl phosphite
CID 170723146
[acetyl(methyl)amino] dibenzyl phosphite
CID 175297347
benzyl carbamate;heptahydrochloride
CID 141351835
O-benzyl chloromethanethioate
CID 15014336
benzyl carbonochloridate
CID 10387

Frequently Asked Questions

What is the IUPAC name of dibenzyl [bis(2-chloroethyl)-dihydroxy-λ5-phosphanyl] phosphite?
The IUPAC name of dibenzyl [bis(2-chloroethyl)-dihydroxy-λ5-phosphanyl] phosphite (CID 88675839) is dibenzyl [bis(2-chloroethyl)-dihydroxy-λ5-phosphanyl] phosphite.
What is the SMILES notation for dibenzyl [bis(2-chloroethyl)-dihydroxy-λ5-phosphanyl] phosphite?
The canonical SMILES for dibenzyl [bis(2-chloroethyl)-dihydroxy-λ5-phosphanyl] phosphite is OP(O)(CCCl)(CCCl)OP(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of dibenzyl [bis(2-chloroethyl)-dihydroxy-λ5-phosphanyl] phosphite?
The InChIKey is YINFLQUQCPTBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2O5P2/c19-11-13-27(21,22,14-12-20)25-26(23-15-17-7-3-1-4-8-17)24-16-18-9-5-2-6-10-18/h1-10,21-22H,11-16H2.
What are the key properties of dibenzyl [bis(2-chloroethyl)-dihydroxy-λ5-phosphanyl] phosphite?
dibenzyl [bis(2-chloroethyl)-dihydroxy-λ5-phosphanyl] phosphite has a molecular weight of 453.24 g/mol, XLogP of 5.42, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl [bis(2-chloroethyl)-dihydroxy-λ5-phosphanyl] phosphite is sourced from PubChem (CID 88675839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).