1,3-benzodioxol-5-yl(methyl)phosphane

C8H9O2P — CID 145271198

IUPAC1,3-benzodioxol-5-yl(methyl)phosphane
SMILESCPc1ccc2c(c1)OCO2
InChIInChI=1S/C8H9O2P/c1-11-6-2-3-7-8(4-6)10-5-9-7/h2-4,11H,5H2,1H3
InChIKeyFQMHFQJFVRMFQM-UHFFFAOYSA-N
MW168.13 g/mol
LogP1.35
Rot. Bonds1

About 1,3-benzodioxol-5-yl(methyl)phosphane

1,3-benzodioxol-5-yl(methyl)phosphane (PubChem CID 145271198) has the molecular formula C8H9O2P and a molecular weight of 168.13 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl(methyl)phosphane.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl(methyl)phosphane
PubChem CID145271198
Molecular FormulaC8H9O2P
Molecular Weight168.13 g/mol
Exact Mass168.03
IUPAC Name1,3-benzodioxol-5-yl(methyl)phosphane
SMILESCPc1ccc2c(c1)OCO2
InChIInChI=1S/C8H9O2P/c1-11-6-2-3-7-8(4-6)10-5-9-7/h2-4,11H,5H2,1H3
InChIKeyFQMHFQJFVRMFQM-UHFFFAOYSA-N
XLogP1.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-1,3-benzodioxole
CID 142082223
2-(1,3-benzodioxol-5-yl)propan-2-ol
CID 11819632
methane;5-methyl-1,3-benzodioxole;1,4-xylene
CID 160857167
1,3-benzodioxole;5-methyl-1,3-benzodioxole
CID 19894451
1,3-benzodioxole-5-thiol;methanamine
CID 142820646
1,3-benzodioxol-5-ol;methane
CID 68940822
2-(1,3-benzodioxol-5-ylsulfanyl)propan-2-ol
CID 117034555
1-amino-3-(1,3-benzodioxol-5-yl)-2-methylpropan-2-ol
CID 82023642
5-(1,1-difluoroethyl)-1,3-benzodioxole
CID 116841522
5-(2-methylpropoxy)-1,3-benzodioxole
CID 59144833
5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 162024292
1,3-benzodioxol-5-ylmethyl(dimethyl)-λ3-iodane
CID 163882429

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl(methyl)phosphane?
The IUPAC name of 1,3-benzodioxol-5-yl(methyl)phosphane (CID 145271198) is 1,3-benzodioxol-5-yl(methyl)phosphane.
What is the SMILES notation for 1,3-benzodioxol-5-yl(methyl)phosphane?
The canonical SMILES for 1,3-benzodioxol-5-yl(methyl)phosphane is CPc1ccc2c(c1)OCO2.
What is the InChIKey of 1,3-benzodioxol-5-yl(methyl)phosphane?
The InChIKey is FQMHFQJFVRMFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O2P/c1-11-6-2-3-7-8(4-6)10-5-9-7/h2-4,11H,5H2,1H3.
What are the key properties of 1,3-benzodioxol-5-yl(methyl)phosphane?
1,3-benzodioxol-5-yl(methyl)phosphane has a molecular weight of 168.13 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl(methyl)phosphane is sourced from PubChem (CID 145271198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).