4-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-methoxyphenol

C26H24N2O4 — CID 73351908

IUPAC4-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-methoxyphenol
SMILESCOc1ccc2[nH]cc(C(c3ccc(O)c(OC)c3)c3c[nH]c4ccc(OC)cc34)c2c1
InChIInChI=1S/C26H24N2O4/c1-30-16-5-7-22-18(11-16)20(13-27-22)26(15-4-9-24(29)25(10-15)32-3)21-14-28-23-8-6-17(31-2)12-19(21)23/h4-14,26-29H,1-3H3
InChIKeyKSBAYHVUCBTLLK-UHFFFAOYSA-N
MW428.49 g/mol
LogP5.56
Rot. Bonds6

About 4-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-methoxyphenol

4-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-methoxyphenol (PubChem CID 73351908) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is 4-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-methoxyphenol
PubChem CID73351908
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name4-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-methoxyphenol
SMILESCOc1ccc2[nH]cc(C(c3ccc(O)c(OC)c3)c3c[nH]c4ccc(OC)cc34)c2c1
InChIInChI=1S/C26H24N2O4/c1-30-16-5-7-22-18(11-16)20(13-27-22)26(15-4-9-24(29)25(10-15)32-3)21-14-28-23-8-6-17(31-2)12-19(21)23/h4-14,26-29H,1-3H3
InChIKeyKSBAYHVUCBTLLK-UHFFFAOYSA-N
XLogP5.56
TPSA79.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methoxytryptamine
CID 1833
O-Methylbufotenine
CID 1832
6-Hydroxymelatonin
CID 1864
5-Methoxy-N,N-Diisopropyltryptamine
CID 151182
Roxindole
CID 219050
5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole
CID 108029
N-Feruloyl Serotonin
CID 5969616
5-Methoxytryptophol
CID 12835
5-(Benzyloxy)tryptamine
CID 89576
5-MeO-DALT
CID 50878551
5-Methoxy-N-Methyltryptamine
CID 16184
5-Methoxy-N,N-dipropyl-1H-indole-3-ethanamine
CID 14011047

Frequently Asked Questions

What is the IUPAC name of 4-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-methoxyphenol?
The IUPAC name of 4-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-methoxyphenol (CID 73351908) is 4-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-methoxyphenol?
The canonical SMILES for 4-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-methoxyphenol is COc1ccc2[nH]cc(C(c3ccc(O)c(OC)c3)c3c[nH]c4ccc(OC)cc34)c2c1.
What is the InChIKey of 4-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-methoxyphenol?
The InChIKey is KSBAYHVUCBTLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-30-16-5-7-22-18(11-16)20(13-27-22)26(15-4-9-24(29)25(10-15)32-3)21-14-28-23-8-6-17(31-2)12-19(21)23/h4-14,26-29H,1-3H3.
What are the key properties of 4-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-methoxyphenol?
4-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-methoxyphenol has a molecular weight of 428.49 g/mol, XLogP of 5.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-methoxyphenol is sourced from PubChem (CID 73351908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).