2-(1-methyl-1H-inden-2-yl)-3-propyl-1H-phosphole

C17H19P — CID 91803035

IUPAC2-(1-methyl-1H-inden-2-yl)-3-propyl-1H-phosphole
SMILESCCCc1cc[pH]c1C1=Cc2ccccc2C1C
InChIInChI=1S/C17H19P/c1-3-6-13-9-10-18-17(13)16-11-14-7-4-5-8-15(14)12(16)2/h4-5,7-12,18H,3,6H2,1-2H3
InChIKeyAMGRNHOUBLFBPZ-UHFFFAOYSA-N
MW254.31 g/mol
LogP5.33
Rot. Bonds3

About 2-(1-methyl-1H-inden-2-yl)-3-propyl-1H-phosphole

2-(1-methyl-1H-inden-2-yl)-3-propyl-1H-phosphole (PubChem CID 91803035) has the molecular formula C17H19P and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-(1-methyl-1H-inden-2-yl)-3-propyl-1H-phosphole.

Molecular Properties

Compound Name2-(1-methyl-1H-inden-2-yl)-3-propyl-1H-phosphole
PubChem CID91803035
Molecular FormulaC17H19P
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name2-(1-methyl-1H-inden-2-yl)-3-propyl-1H-phosphole
SMILESCCCc1cc[pH]c1C1=Cc2ccccc2C1C
InChIInChI=1S/C17H19P/c1-3-6-13-9-10-18-17(13)16-11-14-7-4-5-8-15(14)12(16)2/h4-5,7-12,18H,3,6H2,1-2H3
InChIKeyAMGRNHOUBLFBPZ-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.31
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-2-(2-methylphenyl)-1H-indene
CID 140997796
1,7-dimethyl-2-(2-propylphenyl)-1H-indene
CID 91805526
1-methyl-2-(2,3,4-trimethylphenyl)-1H-indene
CID 21095645
1-butyl-2-(1-methyl-1H-inden-2-yl)phosphole
CID 21095549
2-(2,3-dimethylphenyl)-1-methyl-1H-indene
CID 21095571
2-(3,5-ditert-butylphenyl)-1-methyl-1H-indene
CID 18406157
dimethyl-bis(2-propyl-1H-inden-1-yl)silane
CID 154141035
2-(1-methyl-1H-inden-2-yl)-1-benzofuran
CID 21095546
7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane
CID 159809006
7-[3-(1-methyl-1H-inden-2-yl)phenyl]-1-phenyl-4-propylheptan-3-one
CID 143816119
1-decyl-2-phenyl-1H-indene
CID 91542453
1-heptyl-2-phenyl-1H-indene
CID 91113646

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-1H-inden-2-yl)-3-propyl-1H-phosphole?
The IUPAC name of 2-(1-methyl-1H-inden-2-yl)-3-propyl-1H-phosphole (CID 91803035) is 2-(1-methyl-1H-inden-2-yl)-3-propyl-1H-phosphole.
What is the SMILES notation for 2-(1-methyl-1H-inden-2-yl)-3-propyl-1H-phosphole?
The canonical SMILES for 2-(1-methyl-1H-inden-2-yl)-3-propyl-1H-phosphole is CCCc1cc[pH]c1C1=Cc2ccccc2C1C.
What is the InChIKey of 2-(1-methyl-1H-inden-2-yl)-3-propyl-1H-phosphole?
The InChIKey is AMGRNHOUBLFBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19P/c1-3-6-13-9-10-18-17(13)16-11-14-7-4-5-8-15(14)12(16)2/h4-5,7-12,18H,3,6H2,1-2H3.
What are the key properties of 2-(1-methyl-1H-inden-2-yl)-3-propyl-1H-phosphole?
2-(1-methyl-1H-inden-2-yl)-3-propyl-1H-phosphole has a molecular weight of 254.31 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-1H-inden-2-yl)-3-propyl-1H-phosphole is sourced from PubChem (CID 91803035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).