[1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methanol

C21H23NO4 — CID 71604854

IUPAC[1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methanol
SMILESC=C(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)c(CO)cn2C
InChIInChI=1S/C21H23NO4/c1-13(15-9-19(24-3)21(26-5)20(10-15)25-4)14-6-7-18-17(8-14)16(12-23)11-22(18)2/h6-11,23H,1,12H2,2-5H3
InChIKeyCDVNHTOLJXASDG-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.76
Rot. Bonds6

About [1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methanol

[1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methanol (PubChem CID 71604854) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is [1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methanol.

Molecular Properties

Compound Name[1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methanol
PubChem CID71604854
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name[1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methanol
SMILESC=C(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)c(CO)cn2C
InChIInChI=1S/C21H23NO4/c1-13(15-9-19(24-3)21(26-5)20(10-15)25-4)14-6-7-18-17(8-14)16(12-23)11-22(18)2/h6-11,23H,1,12H2,2-5H3
InChIKeyCDVNHTOLJXASDG-UHFFFAOYSA-N
XLogP3.76
TPSA52.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methanol?
The IUPAC name of [1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methanol (CID 71604854) is [1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methanol.
What is the SMILES notation for [1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methanol?
The canonical SMILES for [1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methanol is C=C(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)c(CO)cn2C.
What is the InChIKey of [1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methanol?
The InChIKey is CDVNHTOLJXASDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-13(15-9-19(24-3)21(26-5)20(10-15)25-4)14-6-7-18-17(8-14)16(12-23)11-22(18)2/h6-11,23H,1,12H2,2-5H3.
What are the key properties of [1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methanol?
[1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methanol has a molecular weight of 353.42 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methanol is sourced from PubChem (CID 71604854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).