chloroform;diphenyl hydrogen phosphate

C13H12Cl3O4P — CID 174899919

IUPACchloroform;diphenyl hydrogen phosphate
SMILESClC(Cl)Cl.O=P(O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H11O4P.CHCl3/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;2-1(3)4/h1-10H,(H,13,14);1H
InChIKeyBLNMBFFBSGRVCK-UHFFFAOYSA-N
MW369.57 g/mol
LogP5.23
Rot. Bonds4

About chloroform;diphenyl hydrogen phosphate

chloroform;diphenyl hydrogen phosphate (PubChem CID 174899919) has the molecular formula C13H12Cl3O4P and a molecular weight of 369.57 g/mol. Its IUPAC name is chloroform;diphenyl hydrogen phosphate.

Molecular Properties

Compound Namechloroform;diphenyl hydrogen phosphate
PubChem CID174899919
Molecular FormulaC13H12Cl3O4P
Molecular Weight369.57 g/mol
Exact Mass367.95
IUPAC Namechloroform;diphenyl hydrogen phosphate
SMILESClC(Cl)Cl.O=P(O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H11O4P.CHCl3/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;2-1(3)4/h1-10H,(H,13,14);1H
InChIKeyBLNMBFFBSGRVCK-UHFFFAOYSA-N
XLogP5.23
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.57
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diphenyl hydrogen phosphate;dihydrate
CID 21115845
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;silane
CID 175425543
dichloromethane;diphenyl hydrogen phosphate;hydrochloride
CID 174445960
hydroxy phenyl hydrogen phosphate
CID 19103302
diphenyl hydrogen phosphate;N-phenylaniline
CID 172852100
diphenyl hydrogen phosphate;1,3,5-triazine-2,4,6-triamine
CID 67592807
phenoxy phenyl hydrogen phosphate
CID 172853202
methane;phenyl phosphono hydrogen phosphate
CID 88820079
dimethyl hydrogen phosphite;diphenyl hydrogen phosphate
CID 161171837
diphenyl hydrogen phosphate;1,2,3,4,5-pentafluorobenzene
CID 155318803
diiminoazanium;diphenyl hydrogen phosphate;toluene
CID 174944323

Frequently Asked Questions

What is the IUPAC name of chloroform;diphenyl hydrogen phosphate?
The IUPAC name of chloroform;diphenyl hydrogen phosphate (CID 174899919) is chloroform;diphenyl hydrogen phosphate.
What is the SMILES notation for chloroform;diphenyl hydrogen phosphate?
The canonical SMILES for chloroform;diphenyl hydrogen phosphate is ClC(Cl)Cl.O=P(O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of chloroform;diphenyl hydrogen phosphate?
The InChIKey is BLNMBFFBSGRVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11O4P.CHCl3/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;2-1(3)4/h1-10H,(H,13,14);1H.
What are the key properties of chloroform;diphenyl hydrogen phosphate?
chloroform;diphenyl hydrogen phosphate has a molecular weight of 369.57 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;diphenyl hydrogen phosphate is sourced from PubChem (CID 174899919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).