4-[(1-ethyl-5-methylindol-2-yl)methoxy]phenol

C18H19NO2 — CID 117185480

IUPAC4-[(1-ethyl-5-methylindol-2-yl)methoxy]phenol
SMILESCCn1c(COc2ccc(O)cc2)cc2cc(C)ccc21
InChIInChI=1S/C18H19NO2/c1-3-19-15(11-14-10-13(2)4-9-18(14)19)12-21-17-7-5-16(20)6-8-17/h4-11,20H,3,12H2,1-2H3
InChIKeyQVJLZPDRNOPGEY-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.25
Rot. Bonds4

About 4-[(1-ethyl-5-methylindol-2-yl)methoxy]phenol

4-[(1-ethyl-5-methylindol-2-yl)methoxy]phenol (PubChem CID 117185480) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[(1-ethyl-5-methylindol-2-yl)methoxy]phenol.

Molecular Properties

Compound Name4-[(1-ethyl-5-methylindol-2-yl)methoxy]phenol
PubChem CID117185480
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name4-[(1-ethyl-5-methylindol-2-yl)methoxy]phenol
SMILESCCn1c(COc2ccc(O)cc2)cc2cc(C)ccc21
InChIInChI=1S/C18H19NO2/c1-3-19-15(11-14-10-13(2)4-9-18(14)19)12-21-17-7-5-16(20)6-8-17/h4-11,20H,3,12H2,1-2H3
InChIKeyQVJLZPDRNOPGEY-UHFFFAOYSA-N
XLogP4.25
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-5-fluoro-2-[(4-fluorophenoxy)methyl]indole
CID 117177295
4-[(6-chloro-1-ethylindol-2-yl)methoxy]phenol
CID 117180760
1-ethyl-5-fluoro-2-[(3-methylphenoxy)methyl]indole
CID 117177248
1-ethyl-5-fluoro-2-(phenoxymethyl)indole
CID 117177203
1-ethyl-2-(methoxymethyl)indol-5-ol
CID 117177336
2-[(4-methoxyphenoxy)methyl]-1,5-dimethylindole
CID 117185409
5-chloro-1-ethyl-2-(phenoxymethyl)indole
CID 117177204
1-ethyl-2-[(3-methylphenoxy)methyl]indole
CID 117173866
[1-ethyl-2-[(4-fluorophenoxy)methyl]indol-5-yl]methanamine
CID 117177052
2-[(4-chlorophenoxy)methyl]-1-ethylindole
CID 117173925
1-ethyl-5-fluoro-2-[(3-fluorophenoxy)methyl]indole
CID 117177258
1-ethyl-2-[(4-methoxyphenoxy)methyl]indol-4-ol
CID 117173947

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethyl-5-methylindol-2-yl)methoxy]phenol?
The IUPAC name of 4-[(1-ethyl-5-methylindol-2-yl)methoxy]phenol (CID 117185480) is 4-[(1-ethyl-5-methylindol-2-yl)methoxy]phenol.
What is the SMILES notation for 4-[(1-ethyl-5-methylindol-2-yl)methoxy]phenol?
The canonical SMILES for 4-[(1-ethyl-5-methylindol-2-yl)methoxy]phenol is CCn1c(COc2ccc(O)cc2)cc2cc(C)ccc21.
What is the InChIKey of 4-[(1-ethyl-5-methylindol-2-yl)methoxy]phenol?
The InChIKey is QVJLZPDRNOPGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-19-15(11-14-10-13(2)4-9-18(14)19)12-21-17-7-5-16(20)6-8-17/h4-11,20H,3,12H2,1-2H3.
What are the key properties of 4-[(1-ethyl-5-methylindol-2-yl)methoxy]phenol?
4-[(1-ethyl-5-methylindol-2-yl)methoxy]phenol has a molecular weight of 281.36 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethyl-5-methylindol-2-yl)methoxy]phenol is sourced from PubChem (CID 117185480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).