4-[5-[[2-(5-methoxy-1H-indol-3-yl)ethyl-methylamino]methyl]furan-2-yl]phenol

C23H24N2O3 — CID 155527191

IUPAC4-[5-[[2-(5-methoxy-1H-indol-3-yl)ethyl-methylamino]methyl]furan-2-yl]phenol
SMILESCOc1ccc2[nH]cc(CCN(C)Cc3ccc(-c4ccc(O)cc4)o3)c2c1
InChIInChI=1S/C23H24N2O3/c1-25(12-11-17-14-24-22-9-7-19(27-2)13-21(17)22)15-20-8-10-23(28-20)16-3-5-18(26)6-4-16/h3-10,13-14,24,26H,11-12,15H2,1-2H3
InChIKeyMHPPXODLZHLRST-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.82
Rot. Bonds7

About 4-[5-[[2-(5-methoxy-1H-indol-3-yl)ethyl-methylamino]methyl]furan-2-yl]phenol

4-[5-[[2-(5-methoxy-1H-indol-3-yl)ethyl-methylamino]methyl]furan-2-yl]phenol (PubChem CID 155527191) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[5-[[2-(5-methoxy-1H-indol-3-yl)ethyl-methylamino]methyl]furan-2-yl]phenol.

Molecular Properties

Compound Name4-[5-[[2-(5-methoxy-1H-indol-3-yl)ethyl-methylamino]methyl]furan-2-yl]phenol
PubChem CID155527191
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name4-[5-[[2-(5-methoxy-1H-indol-3-yl)ethyl-methylamino]methyl]furan-2-yl]phenol
SMILESCOc1ccc2[nH]cc(CCN(C)Cc3ccc(-c4ccc(O)cc4)o3)c2c1
InChIInChI=1S/C23H24N2O3/c1-25(12-11-17-14-24-22-9-7-19(27-2)13-21(17)22)15-20-8-10-23(28-20)16-3-5-18(26)6-4-16/h3-10,13-14,24,26H,11-12,15H2,1-2H3
InChIKeyMHPPXODLZHLRST-UHFFFAOYSA-N
XLogP4.82
TPSA61.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[[2-(5-methoxy-1H-indol-3-yl)ethyl-methylamino]methyl]furan-2-yl]phenol?
The IUPAC name of 4-[5-[[2-(5-methoxy-1H-indol-3-yl)ethyl-methylamino]methyl]furan-2-yl]phenol (CID 155527191) is 4-[5-[[2-(5-methoxy-1H-indol-3-yl)ethyl-methylamino]methyl]furan-2-yl]phenol.
What is the SMILES notation for 4-[5-[[2-(5-methoxy-1H-indol-3-yl)ethyl-methylamino]methyl]furan-2-yl]phenol?
The canonical SMILES for 4-[5-[[2-(5-methoxy-1H-indol-3-yl)ethyl-methylamino]methyl]furan-2-yl]phenol is COc1ccc2[nH]cc(CCN(C)Cc3ccc(-c4ccc(O)cc4)o3)c2c1.
What is the InChIKey of 4-[5-[[2-(5-methoxy-1H-indol-3-yl)ethyl-methylamino]methyl]furan-2-yl]phenol?
The InChIKey is MHPPXODLZHLRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-25(12-11-17-14-24-22-9-7-19(27-2)13-21(17)22)15-20-8-10-23(28-20)16-3-5-18(26)6-4-16/h3-10,13-14,24,26H,11-12,15H2,1-2H3.
What are the key properties of 4-[5-[[2-(5-methoxy-1H-indol-3-yl)ethyl-methylamino]methyl]furan-2-yl]phenol?
4-[5-[[2-(5-methoxy-1H-indol-3-yl)ethyl-methylamino]methyl]furan-2-yl]phenol has a molecular weight of 376.46 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[2-(5-methoxy-1H-indol-3-yl)ethyl-methylamino]methyl]furan-2-yl]phenol is sourced from PubChem (CID 155527191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).