1-ethyl-3-[(2-methylphenoxy)methyl]indol-6-ol

C18H19NO2 — CID 117178934

IUPAC1-ethyl-3-[(2-methylphenoxy)methyl]indol-6-ol
SMILESCCn1cc(COc2ccccc2C)c2ccc(O)cc21
InChIInChI=1S/C18H19NO2/c1-3-19-11-14(16-9-8-15(20)10-17(16)19)12-21-18-7-5-4-6-13(18)2/h4-11,20H,3,12H2,1-2H3
InChIKeyYKGWREQZQGUFET-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.25
Rot. Bonds4

About 1-ethyl-3-[(2-methylphenoxy)methyl]indol-6-ol

1-ethyl-3-[(2-methylphenoxy)methyl]indol-6-ol (PubChem CID 117178934) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-ethyl-3-[(2-methylphenoxy)methyl]indol-6-ol.

Molecular Properties

Compound Name1-ethyl-3-[(2-methylphenoxy)methyl]indol-6-ol
PubChem CID117178934
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-ethyl-3-[(2-methylphenoxy)methyl]indol-6-ol
SMILESCCn1cc(COc2ccccc2C)c2ccc(O)cc21
InChIInChI=1S/C18H19NO2/c1-3-19-11-14(16-9-8-15(20)10-17(16)19)12-21-18-7-5-4-6-13(18)2/h4-11,20H,3,12H2,1-2H3
InChIKeyYKGWREQZQGUFET-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-3-[(2-methoxyphenoxy)methyl]-6-methylindole
CID 117185744
1-ethyl-3-(pyridin-3-yloxymethyl)indol-6-ol
CID 117179045
3-[(2-chlorophenoxy)methyl]-1-ethyl-6-methylindole
CID 117185740
1-ethyl-3-[(2-hydroxyphenoxy)methyl]indole-6-carboxylic acid
CID 117179171
2-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol
CID 117175570
[1-ethyl-3-[(2-methylphenoxy)methyl]indol-7-yl]methanamine
CID 117182214
1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-5-ol
CID 117175642
3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine
CID 117178937
3-[(2-methylphenoxy)methyl]-1-benzofuran-5-ol
CID 117174239
1-ethyl-3-[(2-fluorophenoxy)methyl]-4-methylindole
CID 117184639
3-[(1-ethyl-4-methylindol-3-yl)methoxy]phenol
CID 117184653
1-ethyl-3-(methoxymethyl)-6-methylindole
CID 117185769

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-methylphenoxy)methyl]indol-6-ol?
The IUPAC name of 1-ethyl-3-[(2-methylphenoxy)methyl]indol-6-ol (CID 117178934) is 1-ethyl-3-[(2-methylphenoxy)methyl]indol-6-ol.
What is the SMILES notation for 1-ethyl-3-[(2-methylphenoxy)methyl]indol-6-ol?
The canonical SMILES for 1-ethyl-3-[(2-methylphenoxy)methyl]indol-6-ol is CCn1cc(COc2ccccc2C)c2ccc(O)cc21.
What is the InChIKey of 1-ethyl-3-[(2-methylphenoxy)methyl]indol-6-ol?
The InChIKey is YKGWREQZQGUFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-19-11-14(16-9-8-15(20)10-17(16)19)12-21-18-7-5-4-6-13(18)2/h4-11,20H,3,12H2,1-2H3.
What are the key properties of 1-ethyl-3-[(2-methylphenoxy)methyl]indol-6-ol?
1-ethyl-3-[(2-methylphenoxy)methyl]indol-6-ol 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 1-ethyl-3-[(2-methylphenoxy)methyl]indol-6-ol is sourced from PubChem (CID 117178934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).