methyl [methyl(phenyl)phosphanyl]formate;hydrobromide

C9H12BrO2P — CID 174249624

IUPACmethyl [methyl(phenyl)phosphanyl]formate;hydrobromide
SMILESBr.COC(=O)P(C)c1ccccc1
InChIInChI=1S/C9H11O2P.BrH/c1-11-9(10)12(2)8-6-4-3-5-7-8;/h3-7H,1-2H3;1H
InChIKeyNSGCDJHLYAJCPS-UHFFFAOYSA-N
MW263.07 g/mol
LogP2.77
Rot. Bonds2

About methyl [methyl(phenyl)phosphanyl]formate;hydrobromide

methyl [methyl(phenyl)phosphanyl]formate;hydrobromide (PubChem CID 174249624) has the molecular formula C9H12BrO2P and a molecular weight of 263.07 g/mol. Its IUPAC name is methyl [methyl(phenyl)phosphanyl]formate;hydrobromide.

Molecular Properties

Compound Namemethyl [methyl(phenyl)phosphanyl]formate;hydrobromide
PubChem CID174249624
Molecular FormulaC9H12BrO2P
Molecular Weight263.07 g/mol
Exact Mass261.98
IUPAC Namemethyl [methyl(phenyl)phosphanyl]formate;hydrobromide
SMILESBr.COC(=O)P(C)c1ccccc1
InChIInChI=1S/C9H11O2P.BrH/c1-11-9(10)12(2)8-6-4-3-5-7-8;/h3-7H,1-2H3;1H
InChIKeyNSGCDJHLYAJCPS-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.07
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl [methyl(phenyl)phosphanyl]formate;hydrobromide 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

methyl (E)-3-diphenylphosphanylprop-2-enoate
CID 15878850
guanidine;methyl acetate;triphenylphosphane
CID 174540505
ethane;methoxymethane;methyl benzoate
CID 90999424
benzene;ethane;methyl acetate;phenol
CID 162170522
CID 11999490
CID 11999490
acetic acid;cyclopentane;ruthenium(1+);triphenylphosphane
CID 23229150
methyl(diphenyl)phosphane;terephthalic acid
CID 175491126
ethane;methyl phenyl carbonate
CID 91113838
acetic acid;carbon monoxide;ruthenium;bis(triphenylphosphane)
CID 11967474
acetic acid;triphenylphosphane;hydrochloride
CID 87530977
methyl hydrogen carbonate;phenol
CID 126664263
propan-2-one;triphenylphosphane;hydrate
CID 118484852

Frequently Asked Questions

What is the IUPAC name of methyl [methyl(phenyl)phosphanyl]formate;hydrobromide?
The IUPAC name of methyl [methyl(phenyl)phosphanyl]formate;hydrobromide (CID 174249624) is methyl [methyl(phenyl)phosphanyl]formate;hydrobromide.
What is the SMILES notation for methyl [methyl(phenyl)phosphanyl]formate;hydrobromide?
The canonical SMILES for methyl [methyl(phenyl)phosphanyl]formate;hydrobromide is Br.COC(=O)P(C)c1ccccc1.
What is the InChIKey of methyl [methyl(phenyl)phosphanyl]formate;hydrobromide?
The InChIKey is NSGCDJHLYAJCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O2P.BrH/c1-11-9(10)12(2)8-6-4-3-5-7-8;/h3-7H,1-2H3;1H.
What are the key properties of methyl [methyl(phenyl)phosphanyl]formate;hydrobromide?
methyl [methyl(phenyl)phosphanyl]formate;hydrobromide has a molecular weight of 263.07 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [methyl(phenyl)phosphanyl]formate;hydrobromide is sourced from PubChem (CID 174249624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).