5-methoxy-1-(methoxymethyl)-7-methyl-2-prop-1-en-2-ylindole

C15H19NO2 — CID 86052830

IUPAC5-methoxy-1-(methoxymethyl)-7-methyl-2-prop-1-en-2-ylindole
SMILESC=C(C)c1cc2cc(OC)cc(C)c2n1COC
InChIInChI=1S/C15H19NO2/c1-10(2)14-8-12-7-13(18-5)6-11(3)15(12)16(14)9-17-4/h6-8H,1,9H2,2-5H3
InChIKeyUTPWVSUBNWOBLQ-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.60
Rot. Bonds4

About 5-methoxy-1-(methoxymethyl)-7-methyl-2-prop-1-en-2-ylindole

5-methoxy-1-(methoxymethyl)-7-methyl-2-prop-1-en-2-ylindole (PubChem CID 86052830) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 5-methoxy-1-(methoxymethyl)-7-methyl-2-prop-1-en-2-ylindole.

Molecular Properties

Compound Name5-methoxy-1-(methoxymethyl)-7-methyl-2-prop-1-en-2-ylindole
PubChem CID86052830
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name5-methoxy-1-(methoxymethyl)-7-methyl-2-prop-1-en-2-ylindole
SMILESC=C(C)c1cc2cc(OC)cc(C)c2n1COC
InChIInChI=1S/C15H19NO2/c1-10(2)14-8-12-7-13(18-5)6-11(3)15(12)16(14)9-17-4/h6-8H,1,9H2,2-5H3
InChIKeyUTPWVSUBNWOBLQ-UHFFFAOYSA-N
XLogP3.60
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(methoxymethyl)-7-methyl-2-prop-1-en-2-ylindole?
The IUPAC name of 5-methoxy-1-(methoxymethyl)-7-methyl-2-prop-1-en-2-ylindole (CID 86052830) is 5-methoxy-1-(methoxymethyl)-7-methyl-2-prop-1-en-2-ylindole.
What is the SMILES notation for 5-methoxy-1-(methoxymethyl)-7-methyl-2-prop-1-en-2-ylindole?
The canonical SMILES for 5-methoxy-1-(methoxymethyl)-7-methyl-2-prop-1-en-2-ylindole is C=C(C)c1cc2cc(OC)cc(C)c2n1COC.
What is the InChIKey of 5-methoxy-1-(methoxymethyl)-7-methyl-2-prop-1-en-2-ylindole?
The InChIKey is UTPWVSUBNWOBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10(2)14-8-12-7-13(18-5)6-11(3)15(12)16(14)9-17-4/h6-8H,1,9H2,2-5H3.
What are the key properties of 5-methoxy-1-(methoxymethyl)-7-methyl-2-prop-1-en-2-ylindole?
5-methoxy-1-(methoxymethyl)-7-methyl-2-prop-1-en-2-ylindole has a molecular weight of 245.32 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(methoxymethyl)-7-methyl-2-prop-1-en-2-ylindole is sourced from PubChem (CID 86052830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).