1-ethyl-2-[(4-methoxyphenoxy)methyl]indol-4-ol

C18H19NO3 — CID 117173947

IUPAC1-ethyl-2-[(4-methoxyphenoxy)methyl]indol-4-ol
SMILESCCn1c(COc2ccc(OC)cc2)cc2c(O)cccc21
InChIInChI=1S/C18H19NO3/c1-3-19-13(11-16-17(19)5-4-6-18(16)20)12-22-15-9-7-14(21-2)8-10-15/h4-11,20H,3,12H2,1-2H3
InChIKeyZFSTVMFLVUHYDO-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.95
Rot. Bonds5

About 1-ethyl-2-[(4-methoxyphenoxy)methyl]indol-4-ol

1-ethyl-2-[(4-methoxyphenoxy)methyl]indol-4-ol (PubChem CID 117173947) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-ethyl-2-[(4-methoxyphenoxy)methyl]indol-4-ol.

Molecular Properties

Compound Name1-ethyl-2-[(4-methoxyphenoxy)methyl]indol-4-ol
PubChem CID117173947
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name1-ethyl-2-[(4-methoxyphenoxy)methyl]indol-4-ol
SMILESCCn1c(COc2ccc(OC)cc2)cc2c(O)cccc21
InChIInChI=1S/C18H19NO3/c1-3-19-13(11-16-17(19)5-4-6-18(16)20)12-22-15-9-7-14(21-2)8-10-15/h4-11,20H,3,12H2,1-2H3
InChIKeyZFSTVMFLVUHYDO-UHFFFAOYSA-N
XLogP3.95
TPSA43.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(4-methoxyphenoxy)methyl]indol-4-ol?
The IUPAC name of 1-ethyl-2-[(4-methoxyphenoxy)methyl]indol-4-ol (CID 117173947) is 1-ethyl-2-[(4-methoxyphenoxy)methyl]indol-4-ol.
What is the SMILES notation for 1-ethyl-2-[(4-methoxyphenoxy)methyl]indol-4-ol?
The canonical SMILES for 1-ethyl-2-[(4-methoxyphenoxy)methyl]indol-4-ol is CCn1c(COc2ccc(OC)cc2)cc2c(O)cccc21.
What is the InChIKey of 1-ethyl-2-[(4-methoxyphenoxy)methyl]indol-4-ol?
The InChIKey is ZFSTVMFLVUHYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-3-19-13(11-16-17(19)5-4-6-18(16)20)12-22-15-9-7-14(21-2)8-10-15/h4-11,20H,3,12H2,1-2H3.
What are the key properties of 1-ethyl-2-[(4-methoxyphenoxy)methyl]indol-4-ol?
1-ethyl-2-[(4-methoxyphenoxy)methyl]indol-4-ol has a molecular weight of 297.35 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(4-methoxyphenoxy)methyl]indol-4-ol is sourced from PubChem (CID 117173947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).