ethyl formate;4-methoxy-1H-indole

C12H15NO3 — CID 175194292

IUPACethyl formate;4-methoxy-1H-indole
SMILESCCOC=O.COc1cccc2[nH]ccc12
InChIInChI=1S/C9H9NO.C3H6O2/c1-11-9-4-2-3-8-7(9)5-6-10-8;1-2-5-3-4/h2-6,10H,1H3;3H,2H2,1H3
InChIKeySURWRFCBZOWAPT-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.36
Rot. Bonds3

About ethyl formate;4-methoxy-1H-indole

ethyl formate;4-methoxy-1H-indole (PubChem CID 175194292) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethyl formate;4-methoxy-1H-indole.

Molecular Properties

Compound Nameethyl formate;4-methoxy-1H-indole
PubChem CID175194292
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Nameethyl formate;4-methoxy-1H-indole
SMILESCCOC=O.COc1cccc2[nH]ccc12
InChIInChI=1S/C9H9NO.C3H6O2/c1-11-9-4-2-3-8-7(9)5-6-10-8;1-2-5-3-4/h2-6,10H,1H3;3H,2H2,1H3
InChIKeySURWRFCBZOWAPT-UHFFFAOYSA-N
XLogP2.36
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl formate;4-methyl-1H-indole
CID 159042142
5-chloro-4-methyl-1H-indole;ethyl formate
CID 174389569
4,6-dichloro-1H-indole;ethyl formate
CID 158034405
propanal;1,2,3-trimethoxybenzene
CID 174975216
3-(5-methoxy-1H-indol-4-yl)propanal
CID 117291568
5,6-dichloro-1H-indole;ethyl formate
CID 174500972
ethyl formate;1H-indol-5-amine
CID 157059520
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-4-yl)methanamine
CID 103292073
CID 58110672
CID 58110672
3-(5-methoxy-1H-indol-4-yl)butanal
CID 117309270
4-(3-methylbutoxy)-1H-indole
CID 141124794
(5-methoxynaphthalen-1-yl) formate
CID 11447000

Frequently Asked Questions

What is the IUPAC name of ethyl formate;4-methoxy-1H-indole?
The IUPAC name of ethyl formate;4-methoxy-1H-indole (CID 175194292) is ethyl formate;4-methoxy-1H-indole.
What is the SMILES notation for ethyl formate;4-methoxy-1H-indole?
The canonical SMILES for ethyl formate;4-methoxy-1H-indole is CCOC=O.COc1cccc2[nH]ccc12.
What is the InChIKey of ethyl formate;4-methoxy-1H-indole?
The InChIKey is SURWRFCBZOWAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO.C3H6O2/c1-11-9-4-2-3-8-7(9)5-6-10-8;1-2-5-3-4/h2-6,10H,1H3;3H,2H2,1H3.
What are the key properties of ethyl formate;4-methoxy-1H-indole?
ethyl formate;4-methoxy-1H-indole has a molecular weight of 221.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;4-methoxy-1H-indole is sourced from PubChem (CID 175194292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).