chloro-[2-(methoxymethyl)phenyl]-diphenylphosphanium

C20H19ClOP+ — CID 171625135

IUPACchloro-[2-(methoxymethyl)phenyl]-diphenylphosphanium
SMILESCOCc1ccccc1[P+](Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19ClOP/c1-22-16-17-10-8-9-15-20(17)23(21,18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-15H,16H2,1H3/q+1
InChIKeyXIZCYOHWMCTYRN-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.28
Rot. Bonds5

About chloro-[2-(methoxymethyl)phenyl]-diphenylphosphanium

chloro-[2-(methoxymethyl)phenyl]-diphenylphosphanium (PubChem CID 171625135) has the molecular formula C20H19ClOP+ and a molecular weight of 341.80 g/mol. Its IUPAC name is chloro-[2-(methoxymethyl)phenyl]-diphenylphosphanium.

Molecular Properties

Compound Namechloro-[2-(methoxymethyl)phenyl]-diphenylphosphanium
PubChem CID171625135
Molecular FormulaC20H19ClOP+
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Namechloro-[2-(methoxymethyl)phenyl]-diphenylphosphanium
SMILESCOCc1ccccc1[P+](Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19ClOP/c1-22-16-17-10-8-9-15-20(17)23(21,18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-15H,16H2,1H3/q+1
InChIKeyXIZCYOHWMCTYRN-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze chloro-[2-(methoxymethyl)phenyl]-diphenylphosphanium 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

CID 123655745
CID 123655745
[2-(methoxymethyl)phenyl]-diphenylphosphane;hydrochloride
CID 172850190
1-(chloromethyl)-2-[2-(methoxymethyl)phenyl]benzene
CID 139783767
1-[2-[bis(trimethylsilyl)methyl-[2-(methoxymethyl)phenyl]phosphanyl]phenyl]-N,N-dimethylmethanamine
CID 102300991
1-(methoxymethyl)-2-propan-2-yloxybenzene
CID 154665726
[2-(ethoxymethyl)phenyl]-diphenyl-propylphosphanium
CID 170234353
1-[[2-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 60924440
[2-(methoxymethyl)phenyl]-diphenylstibane
CID 177437786
1-ethyl-2-[2-[2-(methoxymethyl)phenyl]ethynyl]benzene
CID 139455003
[2-(methoxymethyl)phenyl]azaniumylideneazanide
CID 163989337
[2,6-bis(methoxymethyl)phenyl]methanamine;hydrochloride
CID 19835696
2-[2-methoxy-3-(methoxymethyl)phenyl]acetic acid
CID 83884874

Frequently Asked Questions

What is the IUPAC name of chloro-[2-(methoxymethyl)phenyl]-diphenylphosphanium?
The IUPAC name of chloro-[2-(methoxymethyl)phenyl]-diphenylphosphanium (CID 171625135) is chloro-[2-(methoxymethyl)phenyl]-diphenylphosphanium.
What is the SMILES notation for chloro-[2-(methoxymethyl)phenyl]-diphenylphosphanium?
The canonical SMILES for chloro-[2-(methoxymethyl)phenyl]-diphenylphosphanium is COCc1ccccc1[P+](Cl)(c1ccccc1)c1ccccc1.
What is the InChIKey of chloro-[2-(methoxymethyl)phenyl]-diphenylphosphanium?
The InChIKey is XIZCYOHWMCTYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClOP/c1-22-16-17-10-8-9-15-20(17)23(21,18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-15H,16H2,1H3/q+1.
What are the key properties of chloro-[2-(methoxymethyl)phenyl]-diphenylphosphanium?
chloro-[2-(methoxymethyl)phenyl]-diphenylphosphanium has a molecular weight of 341.80 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[2-(methoxymethyl)phenyl]-diphenylphosphanium is sourced from PubChem (CID 171625135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).