1-butyl-2-(1-methyl-1H-inden-2-yl)phosphole

C18H21P — CID 21095549

IUPAC1-butyl-2-(1-methyl-1H-inden-2-yl)phosphole
SMILESCCCCp1cccc1C1=Cc2ccccc2C1C
InChIInChI=1S/C18H21P/c1-3-4-11-19-12-7-10-18(19)17-13-15-8-5-6-9-16(15)14(17)2/h5-10,12-14H,3-4,11H2,1-2H3
InChIKeyVSZBOIJHCOOZSZ-UHFFFAOYSA-N
MW268.34 g/mol
LogP6.13
Rot. Bonds4

About 1-butyl-2-(1-methyl-1H-inden-2-yl)phosphole

1-butyl-2-(1-methyl-1H-inden-2-yl)phosphole (PubChem CID 21095549) has the molecular formula C18H21P and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-butyl-2-(1-methyl-1H-inden-2-yl)phosphole.

Molecular Properties

Compound Name1-butyl-2-(1-methyl-1H-inden-2-yl)phosphole
PubChem CID21095549
Molecular FormulaC18H21P
Molecular Weight268.34 g/mol
Exact Mass268.14
IUPAC Name1-butyl-2-(1-methyl-1H-inden-2-yl)phosphole
SMILESCCCCp1cccc1C1=Cc2ccccc2C1C
InChIInChI=1S/C18H21P/c1-3-4-11-19-12-7-10-18(19)17-13-15-8-5-6-9-16(15)14(17)2/h5-10,12-14H,3-4,11H2,1-2H3
InChIKeyVSZBOIJHCOOZSZ-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.34
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(1-methyl-1H-inden-2-yl)phosphole?
The IUPAC name of 1-butyl-2-(1-methyl-1H-inden-2-yl)phosphole (CID 21095549) is 1-butyl-2-(1-methyl-1H-inden-2-yl)phosphole.
What is the SMILES notation for 1-butyl-2-(1-methyl-1H-inden-2-yl)phosphole?
The canonical SMILES for 1-butyl-2-(1-methyl-1H-inden-2-yl)phosphole is CCCCp1cccc1C1=Cc2ccccc2C1C.
What is the InChIKey of 1-butyl-2-(1-methyl-1H-inden-2-yl)phosphole?
The InChIKey is VSZBOIJHCOOZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21P/c1-3-4-11-19-12-7-10-18(19)17-13-15-8-5-6-9-16(15)14(17)2/h5-10,12-14H,3-4,11H2,1-2H3.
What are the key properties of 1-butyl-2-(1-methyl-1H-inden-2-yl)phosphole?
1-butyl-2-(1-methyl-1H-inden-2-yl)phosphole has a molecular weight of 268.34 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(1-methyl-1H-inden-2-yl)phosphole is sourced from PubChem (CID 21095549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).