chloromethylbenzene;triphenyl phosphite

C25H22ClO3P — CID 158515222

IUPACchloromethylbenzene;triphenyl phosphite
SMILESClCc1ccccc1.c1ccc(OP(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C18H15O3P.C7H7Cl/c1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;8-6-7-4-2-1-3-5-7/h1-15H;1-5H,6H2
InChIKeyHLNUWVPDCQFOPQ-UHFFFAOYSA-N
MW436.88 g/mol
LogP7.88
Rot. Bonds7

About chloromethylbenzene;triphenyl phosphite

chloromethylbenzene;triphenyl phosphite (PubChem CID 158515222) has the molecular formula C25H22ClO3P and a molecular weight of 436.88 g/mol. Its IUPAC name is chloromethylbenzene;triphenyl phosphite.

Molecular Properties

Compound Namechloromethylbenzene;triphenyl phosphite
PubChem CID158515222
Molecular FormulaC25H22ClO3P
Molecular Weight436.88 g/mol
Exact Mass436.10
IUPAC Namechloromethylbenzene;triphenyl phosphite
SMILESClCc1ccccc1.c1ccc(OP(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C18H15O3P.C7H7Cl/c1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;8-6-7-4-2-1-3-5-7/h1-15H;1-5H,6H2
InChIKeyHLNUWVPDCQFOPQ-UHFFFAOYSA-N
XLogP7.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.88
LogP ≤ 57.88
H-Bond Donors ≤ 50
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

chloromethylbenzene;ruthenium
CID 161305198
tri(113C)cyclohexatrienyl phosphite
CID 101432390
triphenyl phosphite
CID 7540
chloromethylbenzene;methane
CID 174969037
CID 18435300
CID 18435300
chloromethylbenzene;1,2-dichloroethane
CID 160867492
carbon monoxide;manganese;bis(triphenyl phosphite)
CID 135047588
chloromethylbenzene;formaldehyde
CID 157080705
diphenoxyphosphanyloxymethyl diphenyl phosphite
CID 171611986
nickel(2+);nitroxyl anion;bis(triphenyl phosphite);bromide
CID 173453911
1-(chloromethyl)-4-phenylbenzene
CID 15463
chloromethylbenzene;N-methylmethanamine
CID 21478070

Frequently Asked Questions

What is the IUPAC name of chloromethylbenzene;triphenyl phosphite?
The IUPAC name of chloromethylbenzene;triphenyl phosphite (CID 158515222) is chloromethylbenzene;triphenyl phosphite.
What is the SMILES notation for chloromethylbenzene;triphenyl phosphite?
The canonical SMILES for chloromethylbenzene;triphenyl phosphite is ClCc1ccccc1.c1ccc(OP(Oc2ccccc2)Oc2ccccc2)cc1.
What is the InChIKey of chloromethylbenzene;triphenyl phosphite?
The InChIKey is HLNUWVPDCQFOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15O3P.C7H7Cl/c1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;8-6-7-4-2-1-3-5-7/h1-15H;1-5H,6H2.
What are the key properties of chloromethylbenzene;triphenyl phosphite?
chloromethylbenzene;triphenyl phosphite has a molecular weight of 436.88 g/mol, XLogP of 7.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethylbenzene;triphenyl phosphite is sourced from PubChem (CID 158515222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).