ethane;(4-methyl-1,3-benzodioxol-2-yl)phosphane

C10H15O2P — CID 162737924

IUPACethane;(4-methyl-1,3-benzodioxol-2-yl)phosphane
SMILESCC.Cc1cccc2c1OC(P)O2
InChIInChI=1S/C8H9O2P.C2H6/c1-5-3-2-4-6-7(5)10-8(11)9-6;1-2/h2-4,8H,11H2,1H3;1-2H3
InChIKeyJBQBCKAXENTCNX-UHFFFAOYSA-N
MW198.20 g/mol
LogP2.95
Rot. Bonds

About ethane;(4-methyl-1,3-benzodioxol-2-yl)phosphane

ethane;(4-methyl-1,3-benzodioxol-2-yl)phosphane (PubChem CID 162737924) has the molecular formula C10H15O2P and a molecular weight of 198.20 g/mol. Its IUPAC name is ethane;(4-methyl-1,3-benzodioxol-2-yl)phosphane.

Molecular Properties

Compound Nameethane;(4-methyl-1,3-benzodioxol-2-yl)phosphane
PubChem CID162737924
Molecular FormulaC10H15O2P
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Nameethane;(4-methyl-1,3-benzodioxol-2-yl)phosphane
SMILESCC.Cc1cccc2c1OC(P)O2
InChIInChI=1S/C8H9O2P.C2H6/c1-5-3-2-4-6-7(5)10-8(11)9-6;1-2/h2-4,8H,11H2,1H3;1-2H3
InChIKeyJBQBCKAXENTCNX-UHFFFAOYSA-N
XLogP2.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 52.95
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

1-(4-methyl-1,3-benzodioxol-2-yl)ethanone
CID 66981012
deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin
CID 91207856
ethane;5-methyl-1,4-benzodioxine
CID 54069523
(2S)-N,N-diethyl-4-methyl-1,3-benzodioxole-2-carboxamide
CID 125479578
(7S)-5,7,9-trimethyl-6,7-dihydro-5H-1,4,8-benzotrioxecin-3-one
CID 102088243
ethane;2,3,3,7-tetramethyl-2H-1-benzofuran
CID 91295864
5-fluoro-2-methyl-2,3-dihydro-1,4-benzodioxine
CID 70302520
2-chloro-2,3,3-trifluoro-5-methyl-1,4-benzodioxine
CID 142113644
N-methyl-2-(7-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanamine
CID 70260688
3,3,6-trimethyl-2,4-dihydro-1,5-benzodioxepine
CID 156791936
(5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl carbamate
CID 23849844
4-methyl-2-propyl-2,3-dihydro-1-benzofuran
CID 141132371

Frequently Asked Questions

What is the IUPAC name of ethane;(4-methyl-1,3-benzodioxol-2-yl)phosphane?
The IUPAC name of ethane;(4-methyl-1,3-benzodioxol-2-yl)phosphane (CID 162737924) is ethane;(4-methyl-1,3-benzodioxol-2-yl)phosphane.
What is the SMILES notation for ethane;(4-methyl-1,3-benzodioxol-2-yl)phosphane?
The canonical SMILES for ethane;(4-methyl-1,3-benzodioxol-2-yl)phosphane is CC.Cc1cccc2c1OC(P)O2.
What is the InChIKey of ethane;(4-methyl-1,3-benzodioxol-2-yl)phosphane?
The InChIKey is JBQBCKAXENTCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O2P.C2H6/c1-5-3-2-4-6-7(5)10-8(11)9-6;1-2/h2-4,8H,11H2,1H3;1-2H3.
What are the key properties of ethane;(4-methyl-1,3-benzodioxol-2-yl)phosphane?
ethane;(4-methyl-1,3-benzodioxol-2-yl)phosphane has a molecular weight of 198.20 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methyl-1,3-benzodioxol-2-yl)phosphane is sourced from PubChem (CID 162737924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).