1-(1-ethyl-7-methoxyindol-3-yl)ethanol

C13H17NO2 — CID 117197918

IUPAC1-(1-ethyl-7-methoxyindol-3-yl)ethanol
SMILESCCn1cc(C(C)O)c2cccc(OC)c21
InChIInChI=1S/C13H17NO2/c1-4-14-8-11(9(2)15)10-6-5-7-12(16-3)13(10)14/h5-9,15H,4H2,1-3H3
InChIKeyPVMYJZDFEOOLQI-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.72
Rot. Bonds3

About 1-(1-ethyl-7-methoxyindol-3-yl)ethanol

1-(1-ethyl-7-methoxyindol-3-yl)ethanol (PubChem CID 117197918) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(1-ethyl-7-methoxyindol-3-yl)ethanol.

Molecular Properties

Compound Name1-(1-ethyl-7-methoxyindol-3-yl)ethanol
PubChem CID117197918
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(1-ethyl-7-methoxyindol-3-yl)ethanol
SMILESCCn1cc(C(C)O)c2cccc(OC)c21
InChIInChI=1S/C13H17NO2/c1-4-14-8-11(9(2)15)10-6-5-7-12(16-3)13(10)14/h5-9,15H,4H2,1-3H3
InChIKeyPVMYJZDFEOOLQI-UHFFFAOYSA-N
XLogP2.72
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethyl-7-methoxyindol-3-yl)propan-2-ol
CID 117197919
1-(1-ethyl-7-methoxyindol-3-yl)-N-methylpropan-2-amine
CID 117197951
3-(1-ethyl-7-methoxyindol-3-yl)propan-1-amine
CID 117197959
ethyl 2-hydroxy-2-(7-methoxy-1-propan-2-ylindol-3-yl)acetate
CID 115073347
1-ethyl-3-(1-hydroxyethyl)-6-methylindole-7-carboxylic acid
CID 83946318
1-(7-methoxy-1-methylindol-3-yl)-N-methylethanamine
CID 83860032
[[2-bromo-4-[[3-(diethoxymethyl)-7-methoxyindol-1-yl]methyl]phenyl]-difluoromethyl]phosphonic acid
CID 24861696
2-(7-methoxy-1-methylindol-3-yl)-3-methylbutanoic acid
CID 82666117
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
(1S)-1-(2-chloro-3-methoxyphenyl)ethanol
CID 124638298
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
1-[5-fluoro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanol
CID 104792501

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-7-methoxyindol-3-yl)ethanol?
The IUPAC name of 1-(1-ethyl-7-methoxyindol-3-yl)ethanol (CID 117197918) is 1-(1-ethyl-7-methoxyindol-3-yl)ethanol.
What is the SMILES notation for 1-(1-ethyl-7-methoxyindol-3-yl)ethanol?
The canonical SMILES for 1-(1-ethyl-7-methoxyindol-3-yl)ethanol is CCn1cc(C(C)O)c2cccc(OC)c21.
What is the InChIKey of 1-(1-ethyl-7-methoxyindol-3-yl)ethanol?
The InChIKey is PVMYJZDFEOOLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4-14-8-11(9(2)15)10-6-5-7-12(16-3)13(10)14/h5-9,15H,4H2,1-3H3.
What are the key properties of 1-(1-ethyl-7-methoxyindol-3-yl)ethanol?
1-(1-ethyl-7-methoxyindol-3-yl)ethanol has a molecular weight of 219.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-7-methoxyindol-3-yl)ethanol is sourced from PubChem (CID 117197918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).