2-methoxy-5-[(5,6,7-trimethoxy-1H-indol-3-yl)methyl]phenol

C19H21NO5 — CID 71575532

IUPAC2-methoxy-5-[(5,6,7-trimethoxy-1H-indol-3-yl)methyl]phenol
SMILESCOc1ccc(Cc2c[nH]c3c(OC)c(OC)c(OC)cc23)cc1O
InChIInChI=1S/C19H21NO5/c1-22-15-6-5-11(8-14(15)21)7-12-10-20-17-13(12)9-16(23-2)18(24-3)19(17)25-4/h5-6,8-10,20-21H,7H2,1-4H3
InChIKeyVGQMMFHNVNJKLF-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.50
Rot. Bonds6

About 2-methoxy-5-[(5,6,7-trimethoxy-1H-indol-3-yl)methyl]phenol

2-methoxy-5-[(5,6,7-trimethoxy-1H-indol-3-yl)methyl]phenol (PubChem CID 71575532) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-methoxy-5-[(5,6,7-trimethoxy-1H-indol-3-yl)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[(5,6,7-trimethoxy-1H-indol-3-yl)methyl]phenol
PubChem CID71575532
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name2-methoxy-5-[(5,6,7-trimethoxy-1H-indol-3-yl)methyl]phenol
SMILESCOc1ccc(Cc2c[nH]c3c(OC)c(OC)c(OC)cc23)cc1O
InChIInChI=1S/C19H21NO5/c1-22-15-6-5-11(8-14(15)21)7-12-10-20-17-13(12)9-16(23-2)18(24-3)19(17)25-4/h5-6,8-10,20-21H,7H2,1-4H3
InChIKeyVGQMMFHNVNJKLF-UHFFFAOYSA-N
XLogP3.50
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(5,6,7-trimethoxy-1H-indol-3-yl)methyl]phenol?
The IUPAC name of 2-methoxy-5-[(5,6,7-trimethoxy-1H-indol-3-yl)methyl]phenol (CID 71575532) is 2-methoxy-5-[(5,6,7-trimethoxy-1H-indol-3-yl)methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[(5,6,7-trimethoxy-1H-indol-3-yl)methyl]phenol?
The canonical SMILES for 2-methoxy-5-[(5,6,7-trimethoxy-1H-indol-3-yl)methyl]phenol is COc1ccc(Cc2c[nH]c3c(OC)c(OC)c(OC)cc23)cc1O.
What is the InChIKey of 2-methoxy-5-[(5,6,7-trimethoxy-1H-indol-3-yl)methyl]phenol?
The InChIKey is VGQMMFHNVNJKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-22-15-6-5-11(8-14(15)21)7-12-10-20-17-13(12)9-16(23-2)18(24-3)19(17)25-4/h5-6,8-10,20-21H,7H2,1-4H3.
What are the key properties of 2-methoxy-5-[(5,6,7-trimethoxy-1H-indol-3-yl)methyl]phenol?
2-methoxy-5-[(5,6,7-trimethoxy-1H-indol-3-yl)methyl]phenol has a molecular weight of 343.38 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(5,6,7-trimethoxy-1H-indol-3-yl)methyl]phenol is sourced from PubChem (CID 71575532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).