1-(1-propan-2-ylindol-7-yl)ethanol

C13H17NO — CID 115115001

IUPAC1-(1-propan-2-ylindol-7-yl)ethanol
SMILESCC(O)c1cccc2ccn(C(C)C)c12
InChIInChI=1S/C13H17NO/c1-9(2)14-8-7-11-5-4-6-12(10(3)15)13(11)14/h4-10,15H,1-3H3
InChIKeySCOYSKOGYVWVEE-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.28
Rot. Bonds2

About 1-(1-propan-2-ylindol-7-yl)ethanol

1-(1-propan-2-ylindol-7-yl)ethanol (PubChem CID 115115001) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(1-propan-2-ylindol-7-yl)ethanol.

Molecular Properties

Compound Name1-(1-propan-2-ylindol-7-yl)ethanol
PubChem CID115115001
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-(1-propan-2-ylindol-7-yl)ethanol
SMILESCC(O)c1cccc2ccn(C(C)C)c12
InChIInChI=1S/C13H17NO/c1-9(2)14-8-7-11-5-4-6-12(10(3)15)13(11)14/h4-10,15H,1-3H3
InChIKeySCOYSKOGYVWVEE-UHFFFAOYSA-N
XLogP3.28
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclohexylindol-7-yl)ethanol
CID 117118641
N-methyl-1-(1-propan-2-ylindol-7-yl)propan-2-amine
CID 115106542
1-(8-methylnaphthalen-1-yl)ethanol
CID 15563489
3-(1-methylindol-7-yl)butan-1-amine
CID 82608277
(2R)-2-(7-chloroindol-1-yl)propanoic acid
CID 107427806
2-(methylamino)-1-(1-methylindol-7-yl)ethanol
CID 82609114
2-(7-ethylindol-1-yl)propanoic acid
CID 60735777
2-(1-cyclobutylindol-7-yl)propan-1-ol
CID 115115262
2-benzo[g]indol-1-ylpropan-1-ol
CID 102022766
1-(1-propan-2-ylindol-4-yl)ethanethiol
CID 135200256
1-[1-(2-methylpropyl)indol-7-yl]ethanamine
CID 115106521
methyl 2-(7-chloroindol-1-yl)propanoate
CID 103474207

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylindol-7-yl)ethanol?
The IUPAC name of 1-(1-propan-2-ylindol-7-yl)ethanol (CID 115115001) is 1-(1-propan-2-ylindol-7-yl)ethanol.
What is the SMILES notation for 1-(1-propan-2-ylindol-7-yl)ethanol?
The canonical SMILES for 1-(1-propan-2-ylindol-7-yl)ethanol is CC(O)c1cccc2ccn(C(C)C)c12.
What is the InChIKey of 1-(1-propan-2-ylindol-7-yl)ethanol?
The InChIKey is SCOYSKOGYVWVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9(2)14-8-7-11-5-4-6-12(10(3)15)13(11)14/h4-10,15H,1-3H3.
What are the key properties of 1-(1-propan-2-ylindol-7-yl)ethanol?
1-(1-propan-2-ylindol-7-yl)ethanol has a molecular weight of 203.28 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylindol-7-yl)ethanol is sourced from PubChem (CID 115115001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).