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

C20H23NO5 — CID 71575534

IUPAC2-methoxy-5-[(5,6,7-trimethoxy-1-methylindol-3-yl)methyl]phenol
SMILESCOc1ccc(Cc2cn(C)c3c(OC)c(OC)c(OC)cc23)cc1O
InChIInChI=1S/C20H23NO5/c1-21-11-13(8-12-6-7-16(23-2)15(22)9-12)14-10-17(24-3)19(25-4)20(26-5)18(14)21/h6-7,9-11,22H,8H2,1-5H3
InChIKeyBOTLXQNBAJWCCK-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.51
Rot. Bonds6

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

2-methoxy-5-[(5,6,7-trimethoxy-1-methylindol-3-yl)methyl]phenol (PubChem CID 71575534) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-methoxy-5-[(5,6,7-trimethoxy-1-methylindol-3-yl)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[(5,6,7-trimethoxy-1-methylindol-3-yl)methyl]phenol
PubChem CID71575534
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name2-methoxy-5-[(5,6,7-trimethoxy-1-methylindol-3-yl)methyl]phenol
SMILESCOc1ccc(Cc2cn(C)c3c(OC)c(OC)c(OC)cc23)cc1O
InChIInChI=1S/C20H23NO5/c1-21-11-13(8-12-6-7-16(23-2)15(22)9-12)14-10-17(24-3)19(25-4)20(26-5)18(14)21/h6-7,9-11,22H,8H2,1-5H3
InChIKeyBOTLXQNBAJWCCK-UHFFFAOYSA-N
XLogP3.51
TPSA62.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
5-[(4,5-dimethyl-3-pyridinyl)methyl]-2-methoxyphenol
CID 123389699
5-(aminomethyl)-2-methoxyphenol
CID 1132998
5-[2-(3-bromo-4,5-dimethoxyphenyl)ethyl]-2-methoxyphenol
CID 172870436
5-[(2S,3R)-4-(3-hydroxy-4-methoxyphenyl)-2,3-dimethylbutyl]-2,3-dimethoxyphenol
CID 146075484
(3-hydroxy-4-methoxyphenyl)methyl-methylazanium
CID 7298318
5-(cyclopropylmethyl)-2-methoxyphenol
CID 115015182
2,2-dihydroxyethyl-[(3-hydroxy-4-methoxyphenyl)methyl]azanium
CID 7055966
(3-hydroxy-4-methoxyphenyl)methyl-methylazanide
CID 59297645
1-[(3-hydroxy-4-methoxyphenyl)methoxy]-3-(3,4,5-trimethoxyphenyl)propan-2-one
CID 163842520
2-methoxy-5-[(2-oxidoisoquinolin-2-ium-1-yl)methyl]phenol
CID 86236012
5-(2-aminoethyl)-2-methoxyphenol chloride
CID 53313231

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(5,6,7-trimethoxy-1-methylindol-3-yl)methyl]phenol?
The IUPAC name of 2-methoxy-5-[(5,6,7-trimethoxy-1-methylindol-3-yl)methyl]phenol (CID 71575534) is 2-methoxy-5-[(5,6,7-trimethoxy-1-methylindol-3-yl)methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[(5,6,7-trimethoxy-1-methylindol-3-yl)methyl]phenol?
The canonical SMILES for 2-methoxy-5-[(5,6,7-trimethoxy-1-methylindol-3-yl)methyl]phenol is COc1ccc(Cc2cn(C)c3c(OC)c(OC)c(OC)cc23)cc1O.
What is the InChIKey of 2-methoxy-5-[(5,6,7-trimethoxy-1-methylindol-3-yl)methyl]phenol?
The InChIKey is BOTLXQNBAJWCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-21-11-13(8-12-6-7-16(23-2)15(22)9-12)14-10-17(24-3)19(25-4)20(26-5)18(14)21/h6-7,9-11,22H,8H2,1-5H3.
What are the key properties of 2-methoxy-5-[(5,6,7-trimethoxy-1-methylindol-3-yl)methyl]phenol?
2-methoxy-5-[(5,6,7-trimethoxy-1-methylindol-3-yl)methyl]phenol has a molecular weight of 357.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(5,6,7-trimethoxy-1-methylindol-3-yl)methyl]phenol is sourced from PubChem (CID 71575534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).