chloro diphenyl phosphate;hydrate

C12H12ClO5P — CID 70610879

IUPACchloro diphenyl phosphate;hydrate
SMILESO.O=P(OCl)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H10ClO4P.H2O/c13-17-18(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;/h1-10H;1H2
InChIKeyZCKSXWWRIAGLDY-UHFFFAOYSA-N
MW302.65 g/mol
LogP3.60
Rot. Bonds5

About chloro diphenyl phosphate;hydrate

chloro diphenyl phosphate;hydrate (PubChem CID 70610879) has the molecular formula C12H12ClO5P and a molecular weight of 302.65 g/mol. Its IUPAC name is chloro diphenyl phosphate;hydrate.

Molecular Properties

Compound Namechloro diphenyl phosphate;hydrate
PubChem CID70610879
Molecular FormulaC12H12ClO5P
Molecular Weight302.65 g/mol
Exact Mass302.01
IUPAC Namechloro diphenyl phosphate;hydrate
SMILESO.O=P(OCl)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H10ClO4P.H2O/c13-17-18(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;/h1-10H;1H2
InChIKeyZCKSXWWRIAGLDY-UHFFFAOYSA-N
XLogP3.60
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.65
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze chloro diphenyl phosphate;hydrate 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

triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
dichloro phenyl phosphate;oxolane
CID 174867172
chloro bis(4-methoxyphenyl) phosphate
CID 19821181
diphenyl silyl phosphate
CID 71371486
tris(4-phenoxyphenyl) phosphate
CID 70576220
CID 175741196
CID 175741196
2-methylpropane;triphenyl phosphate
CID 91193965
argon;[chloro(phenoxy)phosphoryl]oxybenzene
CID 159408422
diphenyl hydrogen phosphate;dihydrate
CID 21115845
dimethyl phenyl phosphate;ethane;trimethyl phosphate
CID 90867053
diphenoxyphosphoryl diphenyl phosphate;propane
CID 162105616

Frequently Asked Questions

What is the IUPAC name of chloro diphenyl phosphate;hydrate?
The IUPAC name of chloro diphenyl phosphate;hydrate (CID 70610879) is chloro diphenyl phosphate;hydrate.
What is the SMILES notation for chloro diphenyl phosphate;hydrate?
The canonical SMILES for chloro diphenyl phosphate;hydrate is O.O=P(OCl)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of chloro diphenyl phosphate;hydrate?
The InChIKey is ZCKSXWWRIAGLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClO4P.H2O/c13-17-18(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;/h1-10H;1H2.
What are the key properties of chloro diphenyl phosphate;hydrate?
chloro diphenyl phosphate;hydrate has a molecular weight of 302.65 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro diphenyl phosphate;hydrate is sourced from PubChem (CID 70610879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).