2-(5H-benzo[b]phosphindol-1-yloxymethyl)oxirane;ethane

C17H19O2P — CID 143275702

IUPAC2-(5H-benzo[b]phosphindol-1-yloxymethyl)oxirane;ethane
SMILESCC.c1ccc2c(c1)[pH]c1cccc(OCC3CO3)c12
InChIInChI=1S/C15H13O2P.C2H6/c1-2-6-13-11(4-1)15-12(17-9-10-8-16-10)5-3-7-14(15)18-13;1-2/h1-7,10,18H,8-9H2;1-2H3
InChIKeyUGLDUZAPDOUZAD-UHFFFAOYSA-N
MW286.31 g/mol
LogP4.83
Rot. Bonds3

About 2-(5H-benzo[b]phosphindol-1-yloxymethyl)oxirane;ethane

2-(5H-benzo[b]phosphindol-1-yloxymethyl)oxirane;ethane (PubChem CID 143275702) has the molecular formula C17H19O2P and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-(5H-benzo[b]phosphindol-1-yloxymethyl)oxirane;ethane.

Molecular Properties

Compound Name2-(5H-benzo[b]phosphindol-1-yloxymethyl)oxirane;ethane
PubChem CID143275702
Molecular FormulaC17H19O2P
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name2-(5H-benzo[b]phosphindol-1-yloxymethyl)oxirane;ethane
SMILESCC.c1ccc2c(c1)[pH]c1cccc(OCC3CO3)c12
InChIInChI=1S/C15H13O2P.C2H6/c1-2-6-13-11(4-1)15-12(17-9-10-8-16-10)5-3-7-14(15)18-13;1-2/h1-7,10,18H,8-9H2;1-2H3
InChIKeyUGLDUZAPDOUZAD-UHFFFAOYSA-N
XLogP4.83
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-(5H-benzo[b]phosphindol-1-yloxymethyl)oxirane;ethane 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

2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane
CID 129074160
ethane;2-[(2-methylphenoxy)methyl]oxirane;bis(2-(naphthalen-1-yloxymethyl)oxirane);propane
CID 158467140
ethane;2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 158003640
5-(oxiran-2-ylmethoxy)naphthalen-1-ol
CID 13305201
1,4-diethylbenzene;methane;bis(2-(naphthalen-1-yloxymethyl)oxirane)
CID 158268997
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
2-[(8-bromonaphthalen-1-yl)oxymethyl]oxirane
CID 139750661
2-[[2-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
CID 134322112
trimethoxy-[2-(oxiran-2-ylmethoxy)phenyl]silane
CID 19099157
2-[[3-methyl-8-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxymethyl]oxirane
CID 139834073
3-methyl-4-(oxiran-2-ylmethoxy)-1H-indole
CID 15020336
(2R)-2-[(2-iodophenoxy)methyl]oxirane
CID 57462593

Frequently Asked Questions

What is the IUPAC name of 2-(5H-benzo[b]phosphindol-1-yloxymethyl)oxirane;ethane?
The IUPAC name of 2-(5H-benzo[b]phosphindol-1-yloxymethyl)oxirane;ethane (CID 143275702) is 2-(5H-benzo[b]phosphindol-1-yloxymethyl)oxirane;ethane.
What is the SMILES notation for 2-(5H-benzo[b]phosphindol-1-yloxymethyl)oxirane;ethane?
The canonical SMILES for 2-(5H-benzo[b]phosphindol-1-yloxymethyl)oxirane;ethane is CC.c1ccc2c(c1)[pH]c1cccc(OCC3CO3)c12.
What is the InChIKey of 2-(5H-benzo[b]phosphindol-1-yloxymethyl)oxirane;ethane?
The InChIKey is UGLDUZAPDOUZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13O2P.C2H6/c1-2-6-13-11(4-1)15-12(17-9-10-8-16-10)5-3-7-14(15)18-13;1-2/h1-7,10,18H,8-9H2;1-2H3.
What are the key properties of 2-(5H-benzo[b]phosphindol-1-yloxymethyl)oxirane;ethane?
2-(5H-benzo[b]phosphindol-1-yloxymethyl)oxirane;ethane has a molecular weight of 286.31 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5H-benzo[b]phosphindol-1-yloxymethyl)oxirane;ethane is sourced from PubChem (CID 143275702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).