5-[methyl(phenyl)phosphoryl]-1,3-benzodioxole

C14H13O3P — CID 132523246

IUPAC5-[methyl(phenyl)phosphoryl]-1,3-benzodioxole
SMILESCP(=O)(c1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H13O3P/c1-18(15,11-5-3-2-4-6-11)12-7-8-13-14(9-12)17-10-16-13/h2-9H,10H2,1H3
InChIKeyHSBYXZPGDNJRHV-UHFFFAOYSA-N
MW260.23 g/mol
LogP2.36
Rot. Bonds2

About 5-[methyl(phenyl)phosphoryl]-1,3-benzodioxole

5-[methyl(phenyl)phosphoryl]-1,3-benzodioxole (PubChem CID 132523246) has the molecular formula C14H13O3P and a molecular weight of 260.23 g/mol. Its IUPAC name is 5-[methyl(phenyl)phosphoryl]-1,3-benzodioxole.

Molecular Properties

Compound Name5-[methyl(phenyl)phosphoryl]-1,3-benzodioxole
PubChem CID132523246
Molecular FormulaC14H13O3P
Molecular Weight260.23 g/mol
Exact Mass260.06
IUPAC Name5-[methyl(phenyl)phosphoryl]-1,3-benzodioxole
SMILESCP(=O)(c1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H13O3P/c1-18(15,11-5-3-2-4-6-11)12-7-8-13-14(9-12)17-10-16-13/h2-9H,10H2,1H3
InChIKeyHSBYXZPGDNJRHV-UHFFFAOYSA-N
XLogP2.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[methyl(phenyl)phosphoryl]-1,3-benzodioxole 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

5-diphenoxyphosphoryl-1,3-benzodioxole
CID 11428171
(S)-1,3-benzodioxol-5-yl(diphenylphosphoryl)methanol
CID 1000311
(1S,2S)-1-(1,3-benzodioxol-5-yl)-2-diphenylphosphorylpropan-1-ol
CID 134884593
(E)-1-(1,3-benzodioxol-5-yl)-N-diphenylphosphorylmethanimine
CID 10915051
(1S)-1-(1,3-benzodioxol-5-yl)-N-diphenylphosphorylpropan-1-amine
CID 10948881
1-(1,3-benzodioxol-5-yl)-N,1-bis(diphenylphosphoryl)methanamine
CID 12018362
benzene;1,3-benzodioxole
CID 158998325
1,1'-biphenyl;2,3-dihydro-1,4-benzodioxin-6-ylphosphonic acid
CID 159667093
1,3-benzodioxole;5-methyl-1,3-benzodioxole
CID 19894451
1,3-benzodioxole;ethane;ethene
CID 143197375
methoxymethane;[methyl(phenyl)phosphoryl]benzene
CID 90840778
4-tert-butyl-6-diphenylphosphoryl-1,3-benzodioxole
CID 134939581

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(phenyl)phosphoryl]-1,3-benzodioxole?
The IUPAC name of 5-[methyl(phenyl)phosphoryl]-1,3-benzodioxole (CID 132523246) is 5-[methyl(phenyl)phosphoryl]-1,3-benzodioxole.
What is the SMILES notation for 5-[methyl(phenyl)phosphoryl]-1,3-benzodioxole?
The canonical SMILES for 5-[methyl(phenyl)phosphoryl]-1,3-benzodioxole is CP(=O)(c1ccccc1)c1ccc2c(c1)OCO2.
What is the InChIKey of 5-[methyl(phenyl)phosphoryl]-1,3-benzodioxole?
The InChIKey is HSBYXZPGDNJRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13O3P/c1-18(15,11-5-3-2-4-6-11)12-7-8-13-14(9-12)17-10-16-13/h2-9H,10H2,1H3.
What are the key properties of 5-[methyl(phenyl)phosphoryl]-1,3-benzodioxole?
5-[methyl(phenyl)phosphoryl]-1,3-benzodioxole has a molecular weight of 260.23 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(phenyl)phosphoryl]-1,3-benzodioxole is sourced from PubChem (CID 132523246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).