dibutyl(1H-inden-2-yl)phosphane

C17H25P — CID 21096004

IUPACdibutyl(1H-inden-2-yl)phosphane
SMILESCCCCP(CCCC)C1=Cc2ccccc2C1
InChIInChI=1S/C17H25P/c1-3-5-11-18(12-6-4-2)17-13-15-9-7-8-10-16(15)14-17/h7-10,13H,3-6,11-12,14H2,1-2H3
InChIKeyDDIDYVXBJGENKH-UHFFFAOYSA-N
MW260.36 g/mol
LogP5.67
Rot. Bonds7

About dibutyl(1H-inden-2-yl)phosphane

dibutyl(1H-inden-2-yl)phosphane (PubChem CID 21096004) has the molecular formula C17H25P and a molecular weight of 260.36 g/mol. Its IUPAC name is dibutyl(1H-inden-2-yl)phosphane.

Molecular Properties

Compound Namedibutyl(1H-inden-2-yl)phosphane
PubChem CID21096004
Molecular FormulaC17H25P
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC Namedibutyl(1H-inden-2-yl)phosphane
SMILESCCCCP(CCCC)C1=Cc2ccccc2C1
InChIInChI=1S/C17H25P/c1-3-5-11-18(12-6-4-2)17-13-15-9-7-8-10-16(15)14-17/h7-10,13H,3-6,11-12,14H2,1-2H3
InChIKeyDDIDYVXBJGENKH-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.36
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dibutyl(1H-inden-2-yl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dibutyl(1H-inden-2-yl)phosphane?
The IUPAC name of dibutyl(1H-inden-2-yl)phosphane (CID 21096004) is dibutyl(1H-inden-2-yl)phosphane.
What is the SMILES notation for dibutyl(1H-inden-2-yl)phosphane?
The canonical SMILES for dibutyl(1H-inden-2-yl)phosphane is CCCCP(CCCC)C1=Cc2ccccc2C1.
What is the InChIKey of dibutyl(1H-inden-2-yl)phosphane?
The InChIKey is DDIDYVXBJGENKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25P/c1-3-5-11-18(12-6-4-2)17-13-15-9-7-8-10-16(15)14-17/h7-10,13H,3-6,11-12,14H2,1-2H3.
What are the key properties of dibutyl(1H-inden-2-yl)phosphane?
dibutyl(1H-inden-2-yl)phosphane has a molecular weight of 260.36 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(1H-inden-2-yl)phosphane is sourced from PubChem (CID 21096004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).