1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-5-ol

C17H17NO3 — CID 117175642

IUPAC1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-5-ol
SMILESCCn1cc(COc2ccc(O)cc2)c2cc(O)ccc21
InChIInChI=1S/C17H17NO3/c1-2-18-10-12(16-9-14(20)5-8-17(16)18)11-21-15-6-3-13(19)4-7-15/h3-10,19-20H,2,11H2,1H3
InChIKeyDRJWMKDUIQLLOO-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.65
Rot. Bonds4

About 1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-5-ol

1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-5-ol (PubChem CID 117175642) 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-5-ol.

Molecular Properties

Compound Name1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-5-ol
PubChem CID117175642
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-5-ol
SMILESCCn1cc(COc2ccc(O)cc2)c2cc(O)ccc21
InChIInChI=1S/C17H17NO3/c1-2-18-10-12(16-9-14(20)5-8-17(16)18)11-21-15-6-3-13(19)4-7-15/h3-10,19-20H,2,11H2,1H3
InChIKeyDRJWMKDUIQLLOO-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-[(3-chlorophenoxy)methyl]-1-ethylindol-5-ol
CID 117175592
3-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol
CID 117175607
1-ethyl-5-methyl-3-(phenoxymethyl)indole
CID 117185186
1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-7-ol
CID 117182492
1-ethyl-3-(pyridin-3-yloxymethyl)indol-6-ol
CID 117179045
3-(azepan-1-ylmethyl)-1-ethylindol-5-ol
CID 117175480
2-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol
CID 117175570
1-ethyl-3-[(2-methylphenoxy)methyl]indol-6-ol
CID 117178934
1-(1-ethyl-5-hydroxyindol-3-yl)ethanone
CID 117121155
1-ethyl-3-[(3-hydroxyphenoxy)methyl]indol-4-ol
CID 117171916
1-propan-2-yl-3-(pyridin-3-yloxymethyl)indol-5-ol
CID 117175660
3-[(1-ethyl-4-methylindol-3-yl)methoxy]phenol
CID 117184653

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-5-ol?
The IUPAC name of 1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-5-ol (CID 117175642) is 1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-5-ol.
What is the SMILES notation for 1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-5-ol?
The canonical SMILES for 1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-5-ol is CCn1cc(COc2ccc(O)cc2)c2cc(O)ccc21.
What is the InChIKey of 1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-5-ol?
The InChIKey is DRJWMKDUIQLLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-2-18-10-12(16-9-14(20)5-8-17(16)18)11-21-15-6-3-13(19)4-7-15/h3-10,19-20H,2,11H2,1H3.
What are the key properties of 1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-5-ol?
1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-5-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-5-ol is sourced from PubChem (CID 117175642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).