ethane;ethyl formate;1-ethylindol-5-ol

C15H23NO3 — CID 142952084

IUPACethane;ethyl formate;1-ethylindol-5-ol
SMILESCC.CCOC=O.CCn1ccc2cc(O)ccc21
InChIInChI=1S/C10H11NO.C3H6O2.C2H6/c1-2-11-6-5-8-7-9(12)3-4-10(8)11;1-2-5-3-4;1-2/h3-7,12H,2H2,1H3;3H,2H2,1H3;1-2H3
InChIKeyDTAOOJOSBLGCRA-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.57
Rot. Bonds3

About ethane;ethyl formate;1-ethylindol-5-ol

ethane;ethyl formate;1-ethylindol-5-ol (PubChem CID 142952084) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethane;ethyl formate;1-ethylindol-5-ol.

Molecular Properties

Compound Nameethane;ethyl formate;1-ethylindol-5-ol
PubChem CID142952084
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethane;ethyl formate;1-ethylindol-5-ol
SMILESCC.CCOC=O.CCn1ccc2cc(O)ccc21
InChIInChI=1S/C10H11NO.C3H6O2.C2H6/c1-2-11-6-5-8-7-9(12)3-4-10(8)11;1-2-5-3-4;1-2/h3-7,12H,2H2,1H3;3H,2H2,1H3;1-2H3
InChIKeyDTAOOJOSBLGCRA-UHFFFAOYSA-N
XLogP3.57
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-chloro-1-ethylindole;ethyl formate
CID 174344649
ethyl 3-(5-hydroxyindol-1-yl)propanoate
CID 24971969
2-(1-ethylindol-5-yl)acetaldehyde
CID 115106765
methyl 2-(5-hydroxyindol-1-yl)acetate
CID 20770839
1-(2-methoxyethyl)indol-5-ol
CID 138679498
1-pentylindol-5-ol
CID 142952081
(1-ethylindol-5-yl) acetate
CID 57170525
1-benzofuran-6-ol;ethyl formate
CID 159583080
propyl 5-(5-hydroxyindol-1-yl)pentanoate
CID 142923299
(1-ethylindol-5-yl) hypoiodite
CID 23151406
CID 69068244
CID 69068244
1-(1-ethylindol-5-yl)butan-1-one
CID 71284644

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl formate;1-ethylindol-5-ol?
The IUPAC name of ethane;ethyl formate;1-ethylindol-5-ol (CID 142952084) is ethane;ethyl formate;1-ethylindol-5-ol.
What is the SMILES notation for ethane;ethyl formate;1-ethylindol-5-ol?
The canonical SMILES for ethane;ethyl formate;1-ethylindol-5-ol is CC.CCOC=O.CCn1ccc2cc(O)ccc21.
What is the InChIKey of ethane;ethyl formate;1-ethylindol-5-ol?
The InChIKey is DTAOOJOSBLGCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.C3H6O2.C2H6/c1-2-11-6-5-8-7-9(12)3-4-10(8)11;1-2-5-3-4;1-2/h3-7,12H,2H2,1H3;3H,2H2,1H3;1-2H3.
What are the key properties of ethane;ethyl formate;1-ethylindol-5-ol?
ethane;ethyl formate;1-ethylindol-5-ol has a molecular weight of 265.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl formate;1-ethylindol-5-ol is sourced from PubChem (CID 142952084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).