1,3-dimethyl-2-(1-propyl-1H-inden-2-yl)phosphole

C18H21P — CID 21095736

IUPAC1,3-dimethyl-2-(1-propyl-1H-inden-2-yl)phosphole
SMILESCCCC1C(c2c(C)ccp2C)=Cc2ccccc21
InChIInChI=1S/C18H21P/c1-4-7-16-15-9-6-5-8-14(15)12-17(16)18-13(2)10-11-19(18)3/h5-6,8-12,16H,4,7H2,1-3H3
InChIKeyIWDUFXDCYUWIJM-UHFFFAOYSA-N
MW268.34 g/mol
LogP5.96
Rot. Bonds3

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

1,3-dimethyl-2-(1-propyl-1H-inden-2-yl)phosphole (PubChem CID 21095736) has the molecular formula C18H21P and a molecular weight of 268.34 g/mol. Its IUPAC name is 1,3-dimethyl-2-(1-propyl-1H-inden-2-yl)phosphole.

Molecular Properties

Compound Name1,3-dimethyl-2-(1-propyl-1H-inden-2-yl)phosphole
PubChem CID21095736
Molecular FormulaC18H21P
Molecular Weight268.34 g/mol
Exact Mass268.14
IUPAC Name1,3-dimethyl-2-(1-propyl-1H-inden-2-yl)phosphole
SMILESCCCC1C(c2c(C)ccp2C)=Cc2ccccc21
InChIInChI=1S/C18H21P/c1-4-7-16-15-9-6-5-8-14(15)12-17(16)18-13(2)10-11-19(18)3/h5-6,8-12,16H,4,7H2,1-3H3
InChIKeyIWDUFXDCYUWIJM-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.34
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-(1-propyl-1H-inden-2-yl)phosphole?
The IUPAC name of 1,3-dimethyl-2-(1-propyl-1H-inden-2-yl)phosphole (CID 21095736) is 1,3-dimethyl-2-(1-propyl-1H-inden-2-yl)phosphole.
What is the SMILES notation for 1,3-dimethyl-2-(1-propyl-1H-inden-2-yl)phosphole?
The canonical SMILES for 1,3-dimethyl-2-(1-propyl-1H-inden-2-yl)phosphole is CCCC1C(c2c(C)ccp2C)=Cc2ccccc21.
What is the InChIKey of 1,3-dimethyl-2-(1-propyl-1H-inden-2-yl)phosphole?
The InChIKey is IWDUFXDCYUWIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21P/c1-4-7-16-15-9-6-5-8-14(15)12-17(16)18-13(2)10-11-19(18)3/h5-6,8-12,16H,4,7H2,1-3H3.
What are the key properties of 1,3-dimethyl-2-(1-propyl-1H-inden-2-yl)phosphole?
1,3-dimethyl-2-(1-propyl-1H-inden-2-yl)phosphole has a molecular weight of 268.34 g/mol, XLogP of 5.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-(1-propyl-1H-inden-2-yl)phosphole is sourced from PubChem (CID 21095736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).