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

C16H17P — CID 173084987

IUPAC3-ethyl-2-(3-methyl-1H-inden-2-yl)-1H-phosphole
SMILESCCc1cc[pH]c1C1=C(C)c2ccccc2C1
InChIInChI=1S/C16H17P/c1-3-12-8-9-17-16(12)15-10-13-6-4-5-7-14(13)11(15)2/h4-9,17H,3,10H2,1-2H3
InChIKeyILFQSRJTIFVWIA-UHFFFAOYSA-N
MW240.29 g/mol
LogP4.77
Rot. Bonds2

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

3-ethyl-2-(3-methyl-1H-inden-2-yl)-1H-phosphole (PubChem CID 173084987) has the molecular formula C16H17P and a molecular weight of 240.29 g/mol. Its IUPAC name is 3-ethyl-2-(3-methyl-1H-inden-2-yl)-1H-phosphole.

Molecular Properties

Compound Name3-ethyl-2-(3-methyl-1H-inden-2-yl)-1H-phosphole
PubChem CID173084987
Molecular FormulaC16H17P
Molecular Weight240.29 g/mol
Exact Mass240.11
IUPAC Name3-ethyl-2-(3-methyl-1H-inden-2-yl)-1H-phosphole
SMILESCCc1cc[pH]c1C1=C(C)c2ccccc2C1
InChIInChI=1S/C16H17P/c1-3-12-8-9-17-16(12)15-10-13-6-4-5-7-14(13)11(15)2/h4-9,17H,3,10H2,1-2H3
InChIKeyILFQSRJTIFVWIA-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-methyl-2-(2-propylphenyl)-1H-indene
CID 173085124
2-(3-methyl-1H-inden-2-yl)-3-propylthiophene
CID 173084535
3-ethyl-2-(2,3,4-trimethylphenyl)-1H-indene
CID 173085149
2,3-dimethyl-1H-indene;ethane
CID 54108652
2-(3,5-dimethoxyphenyl)-3-methyl-1H-indene
CID 134983349
lithium;2,3-dimethyl-1H-indene;hydride
CID 174422478
ethane;1-ethyl-9H-fluorene;propane
CID 167686584
ethanamine;9H-fluorene
CID 158316259
ethane;pentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 123798005
1,2-diethyl-9H-fluorene
CID 23440471
3-propyl-2-(2-propylphenyl)-1H-indene
CID 173084830
bis(9H-fluorene);pentane
CID 159146463

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(3-methyl-1H-inden-2-yl)-1H-phosphole?
The IUPAC name of 3-ethyl-2-(3-methyl-1H-inden-2-yl)-1H-phosphole (CID 173084987) is 3-ethyl-2-(3-methyl-1H-inden-2-yl)-1H-phosphole.
What is the SMILES notation for 3-ethyl-2-(3-methyl-1H-inden-2-yl)-1H-phosphole?
The canonical SMILES for 3-ethyl-2-(3-methyl-1H-inden-2-yl)-1H-phosphole is CCc1cc[pH]c1C1=C(C)c2ccccc2C1.
What is the InChIKey of 3-ethyl-2-(3-methyl-1H-inden-2-yl)-1H-phosphole?
The InChIKey is ILFQSRJTIFVWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17P/c1-3-12-8-9-17-16(12)15-10-13-6-4-5-7-14(13)11(15)2/h4-9,17H,3,10H2,1-2H3.
What are the key properties of 3-ethyl-2-(3-methyl-1H-inden-2-yl)-1H-phosphole?
3-ethyl-2-(3-methyl-1H-inden-2-yl)-1H-phosphole has a molecular weight of 240.29 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(3-methyl-1H-inden-2-yl)-1H-phosphole is sourced from PubChem (CID 173084987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).