ethane;4-(3-propan-2-ylphenyl)-1H-indole

C19H23N — CID 156726959

IUPACethane;4-(3-propan-2-ylphenyl)-1H-indole
SMILESCC.CC(C)c1cccc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C17H17N.C2H6/c1-12(2)13-5-3-6-14(11-13)15-7-4-8-17-16(15)9-10-18-17;1-2/h3-12,18H,1-2H3;1-2H3
InChIKeyJQUVKTZMSLLVHD-UHFFFAOYSA-N
MW265.40 g/mol
LogP5.98
Rot. Bonds2

About ethane;4-(3-propan-2-ylphenyl)-1H-indole

ethane;4-(3-propan-2-ylphenyl)-1H-indole (PubChem CID 156726959) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is ethane;4-(3-propan-2-ylphenyl)-1H-indole.

Molecular Properties

Compound Nameethane;4-(3-propan-2-ylphenyl)-1H-indole
PubChem CID156726959
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Nameethane;4-(3-propan-2-ylphenyl)-1H-indole
SMILESCC.CC(C)c1cccc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C17H17N.C2H6/c1-12(2)13-5-3-6-14(11-13)15-7-4-8-17-16(15)9-10-18-17;1-2/h3-12,18H,1-2H3;1-2H3
InChIKeyJQUVKTZMSLLVHD-UHFFFAOYSA-N
XLogP5.98
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.40
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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2,7-bis(3-propan-2-ylphenyl)-9H-carbazole
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4-[3,5-bis(trifluoromethyl)phenyl]-1H-indole
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2-methyl-6-(3-propan-2-ylphenyl)aniline
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4-(4-methylsulfonylphenyl)-1H-indole
CID 50973001
2-fluoro-5-(1H-indol-4-yl)benzonitrile
CID 22561837
4-(4-ethoxyphenyl)-1H-indole
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5-(1H-indol-4-yl)-1H-pyridin-2-one
CID 122200265
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Frequently Asked Questions

What is the IUPAC name of ethane;4-(3-propan-2-ylphenyl)-1H-indole?
The IUPAC name of ethane;4-(3-propan-2-ylphenyl)-1H-indole (CID 156726959) is ethane;4-(3-propan-2-ylphenyl)-1H-indole.
What is the SMILES notation for ethane;4-(3-propan-2-ylphenyl)-1H-indole?
The canonical SMILES for ethane;4-(3-propan-2-ylphenyl)-1H-indole is CC.CC(C)c1cccc(-c2cccc3[nH]ccc23)c1.
What is the InChIKey of ethane;4-(3-propan-2-ylphenyl)-1H-indole?
The InChIKey is JQUVKTZMSLLVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N.C2H6/c1-12(2)13-5-3-6-14(11-13)15-7-4-8-17-16(15)9-10-18-17;1-2/h3-12,18H,1-2H3;1-2H3.
What are the key properties of ethane;4-(3-propan-2-ylphenyl)-1H-indole?
ethane;4-(3-propan-2-ylphenyl)-1H-indole has a molecular weight of 265.40 g/mol, XLogP of 5.98, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(3-propan-2-ylphenyl)-1H-indole is sourced from PubChem (CID 156726959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).