1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-7-ol

C17H17NO3 — CID 117182492

IUPAC1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-7-ol
SMILESCCn1cc(COc2ccc(O)cc2)c2cccc(O)c21
InChIInChI=1S/C17H17NO3/c1-2-18-10-12(15-4-3-5-16(20)17(15)18)11-21-14-8-6-13(19)7-9-14/h3-10,19-20H,2,11H2,1H3
InChIKeyATYFCWDRIDBVSH-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.65
Rot. Bonds4

About 1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-7-ol

1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-7-ol (PubChem CID 117182492) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-7-ol.

Molecular Properties

Compound Name1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-7-ol
PubChem CID117182492
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-7-ol
SMILESCCn1cc(COc2ccc(O)cc2)c2cccc(O)c21
InChIInChI=1S/C17H17NO3/c1-2-18-10-12(15-4-3-5-16(20)17(15)18)11-21-14-8-6-13(19)7-9-14/h3-10,19-20H,2,11H2,1H3
InChIKeyATYFCWDRIDBVSH-UHFFFAOYSA-N
XLogP3.65
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorophenoxy)methyl]-1-ethyl-7-methylindole
CID 117186319
1-ethyl-3-(hydroxymethyl)indol-7-ol
CID 117182594
1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-5-ol
CID 117175642
[1-ethyl-3-[(4-fluorophenoxy)methyl]indol-7-yl]methanamine
CID 117182232
1-methyl-3-[(3-methylphenoxy)methyl]indol-7-ol
CID 117181915
3-[(3-chlorophenoxy)methyl]-1-ethylindol-5-ol
CID 117175592
3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-7-ol
CID 117181099
1-ethyl-3-(pyridin-3-yloxymethyl)indol-6-ol
CID 117179045
[1-ethyl-3-[(2-methylphenoxy)methyl]indol-7-yl]methanamine
CID 117182214
1-ethyl-3-[(3-hydroxyphenoxy)methyl]indol-4-ol
CID 117171916
3-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol
CID 117175607
(7-chloro-1-ethylindol-3-yl)methanol
CID 83522863

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-7-ol?
The IUPAC name of 1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-7-ol (CID 117182492) is 1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-7-ol.
What is the SMILES notation for 1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-7-ol?
The canonical SMILES for 1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-7-ol is CCn1cc(COc2ccc(O)cc2)c2cccc(O)c21.
What is the InChIKey of 1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-7-ol?
The InChIKey is ATYFCWDRIDBVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-2-18-10-12(15-4-3-5-16(20)17(15)18)11-21-14-8-6-13(19)7-9-14/h3-10,19-20H,2,11H2,1H3.
What are the key properties of 1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-7-ol?
1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-7-ol has a molecular weight of 283.33 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-7-ol is sourced from PubChem (CID 117182492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).