12-methyl-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine

C18H17O2P — CID 101409447

IUPAC12-methyl-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine
SMILESCP1Oc2cccc3c2C2(CC3)CCc3cccc(c32)O1
InChIInChI=1S/C18H17O2P/c1-21-19-14-6-2-4-12-8-10-18(16(12)14)11-9-13-5-3-7-15(20-21)17(13)18/h2-7H,8-11H2,1H3
InChIKeyPARFBDMIVUPPND-UHFFFAOYSA-N
MW296.31 g/mol
LogP4.58
Rot. Bonds

About 12-methyl-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine

12-methyl-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine (PubChem CID 101409447) has the molecular formula C18H17O2P and a molecular weight of 296.31 g/mol. Its IUPAC name is 12-methyl-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine.

Molecular Properties

Compound Name12-methyl-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine
PubChem CID101409447
Molecular FormulaC18H17O2P
Molecular Weight296.31 g/mol
Exact Mass296.10
IUPAC Name12-methyl-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine
SMILESCP1Oc2cccc3c2C2(CC3)CCc3cccc(c32)O1
InChIInChI=1S/C18H17O2P/c1-21-19-14-6-2-4-12-8-10-18(16(12)14)11-9-13-5-3-7-15(20-21)17(13)18/h2-7H,8-11H2,1H3
InChIKeyPARFBDMIVUPPND-UHFFFAOYSA-N
XLogP4.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 12-methyl-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine?
The IUPAC name of 12-methyl-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine (CID 101409447) is 12-methyl-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine.
What is the SMILES notation for 12-methyl-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine?
The canonical SMILES for 12-methyl-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine is CP1Oc2cccc3c2C2(CC3)CCc3cccc(c32)O1.
What is the InChIKey of 12-methyl-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine?
The InChIKey is PARFBDMIVUPPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17O2P/c1-21-19-14-6-2-4-12-8-10-18(16(12)14)11-9-13-5-3-7-15(20-21)17(13)18/h2-7H,8-11H2,1H3.
What are the key properties of 12-methyl-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine?
12-methyl-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine has a molecular weight of 296.31 g/mol, XLogP of 4.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine is sourced from PubChem (CID 101409447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).