3-[(1-ethyl-4-methylindol-3-yl)methoxy]phenol

C18H19NO2 — CID 117184653

IUPAC3-[(1-ethyl-4-methylindol-3-yl)methoxy]phenol
SMILESCCn1cc(COc2cccc(O)c2)c2c(C)cccc21
InChIInChI=1S/C18H19NO2/c1-3-19-11-14(18-13(2)6-4-9-17(18)19)12-21-16-8-5-7-15(20)10-16/h4-11,20H,3,12H2,1-2H3
InChIKeyBPTWTPMMTPOJOR-UHFFFAOYSA-N
MW281.35 g/mol
LogP4.25
Rot. Bonds4

About 3-[(1-ethyl-4-methylindol-3-yl)methoxy]phenol

3-[(1-ethyl-4-methylindol-3-yl)methoxy]phenol (PubChem CID 117184653) has the molecular formula C18H19NO2 and a molecular weight of 281.35 g/mol. Its IUPAC name is 3-[(1-ethyl-4-methylindol-3-yl)methoxy]phenol.

Molecular Properties

Compound Name3-[(1-ethyl-4-methylindol-3-yl)methoxy]phenol
PubChem CID117184653
Molecular FormulaC18H19NO2
Molecular Weight281.35 g/mol
Exact Mass281.14
IUPAC Name3-[(1-ethyl-4-methylindol-3-yl)methoxy]phenol
SMILESCCn1cc(COc2cccc(O)c2)c2c(C)cccc21
InChIInChI=1S/C18H19NO2/c1-3-19-11-14(18-13(2)6-4-9-17(18)19)12-21-16-8-5-7-15(20)10-16/h4-11,20H,3,12H2,1-2H3
InChIKeyBPTWTPMMTPOJOR-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 ≤ 500281.35
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethyl-4-methylindol-3-yl)methoxy]phenol?
The IUPAC name of 3-[(1-ethyl-4-methylindol-3-yl)methoxy]phenol (CID 117184653) is 3-[(1-ethyl-4-methylindol-3-yl)methoxy]phenol.
What is the SMILES notation for 3-[(1-ethyl-4-methylindol-3-yl)methoxy]phenol?
The canonical SMILES for 3-[(1-ethyl-4-methylindol-3-yl)methoxy]phenol is CCn1cc(COc2cccc(O)c2)c2c(C)cccc21.
What is the InChIKey of 3-[(1-ethyl-4-methylindol-3-yl)methoxy]phenol?
The InChIKey is BPTWTPMMTPOJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-19-11-14(18-13(2)6-4-9-17(18)19)12-21-16-8-5-7-15(20)10-16/h4-11,20H,3,12H2,1-2H3.
What are the key properties of 3-[(1-ethyl-4-methylindol-3-yl)methoxy]phenol?
3-[(1-ethyl-4-methylindol-3-yl)methoxy]phenol has a molecular weight of 281.35 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 3-[(1-ethyl-4-methylindol-3-yl)methoxy]phenol is sourced from PubChem (CID 117184653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).