1-ethyl-2-(propan-2-yloxymethyl)indol-7-ol

C14H19NO2 — CID 117184262

IUPAC1-ethyl-2-(propan-2-yloxymethyl)indol-7-ol
SMILESCCn1c(COC(C)C)cc2cccc(O)c21
InChIInChI=1S/C14H19NO2/c1-4-15-12(9-17-10(2)3)8-11-6-5-7-13(16)14(11)15/h5-8,10,16H,4,9H2,1-3H3
InChIKeyONLAQAATWPCQHE-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.29
Rot. Bonds4

About 1-ethyl-2-(propan-2-yloxymethyl)indol-7-ol

1-ethyl-2-(propan-2-yloxymethyl)indol-7-ol (PubChem CID 117184262) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-ethyl-2-(propan-2-yloxymethyl)indol-7-ol.

Molecular Properties

Compound Name1-ethyl-2-(propan-2-yloxymethyl)indol-7-ol
PubChem CID117184262
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-ethyl-2-(propan-2-yloxymethyl)indol-7-ol
SMILESCCn1c(COC(C)C)cc2cccc(O)c21
InChIInChI=1S/C14H19NO2/c1-4-15-12(9-17-10(2)3)8-11-6-5-7-13(16)14(11)15/h5-8,10,16H,4,9H2,1-3H3
InChIKeyONLAQAATWPCQHE-UHFFFAOYSA-N
XLogP3.29
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-7-fluoro-2-(propan-2-yloxymethyl)indole
CID 117184270
1-ethyl-2-(propan-2-yloxymethyl)indole-6-carboxylic acid
CID 117180916
1-ethyl-4-fluoro-2-(propan-2-yloxymethyl)indole
CID 117173999
2-(aminooxymethyl)-1-propan-2-ylindol-7-ol
CID 117197178
3-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid
CID 117196710
2-amino-2-(1-ethyl-7-hydroxyindol-2-yl)acetic acid
CID 115072472
1-ethyl-2-[(3-methoxyphenoxy)methyl]-7-methylindole
CID 117186591
3-(1-ethyl-7-fluoroindol-2-yl)-2-methylpropanoic acid
CID 117196993
1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-ol
CID 117174039
1-(1-ethyl-7-methylindol-2-yl)propan-2-amine
CID 117196697
2-(1-ethyl-7-hydroxyindol-2-yl)-2-methylpropanoic acid
CID 117197219
2-(ethoxymethyl)-1-ethylindole
CID 117173973

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(propan-2-yloxymethyl)indol-7-ol?
The IUPAC name of 1-ethyl-2-(propan-2-yloxymethyl)indol-7-ol (CID 117184262) is 1-ethyl-2-(propan-2-yloxymethyl)indol-7-ol.
What is the SMILES notation for 1-ethyl-2-(propan-2-yloxymethyl)indol-7-ol?
The canonical SMILES for 1-ethyl-2-(propan-2-yloxymethyl)indol-7-ol is CCn1c(COC(C)C)cc2cccc(O)c21.
What is the InChIKey of 1-ethyl-2-(propan-2-yloxymethyl)indol-7-ol?
The InChIKey is ONLAQAATWPCQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-15-12(9-17-10(2)3)8-11-6-5-7-13(16)14(11)15/h5-8,10,16H,4,9H2,1-3H3.
What are the key properties of 1-ethyl-2-(propan-2-yloxymethyl)indol-7-ol?
1-ethyl-2-(propan-2-yloxymethyl)indol-7-ol has a molecular weight of 233.31 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(propan-2-yloxymethyl)indol-7-ol is sourced from PubChem (CID 117184262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).