2-methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol

C18H19NO5 — CID 54768181

IUPAC2-methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol
SMILESCOc1ccc(-n2ccc3c(OC)c(OC)c(OC)cc32)cc1O
InChIInChI=1S/C18H19NO5/c1-21-15-6-5-11(9-14(15)20)19-8-7-12-13(19)10-16(22-2)18(24-4)17(12)23-3/h5-10,20H,1-4H3
InChIKeyYBIKFKKPMZWZNA-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.37
Rot. Bonds5

About 2-methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol

2-methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol (PubChem CID 54768181) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol.

Molecular Properties

Compound Name2-methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol
PubChem CID54768181
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name2-methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol
SMILESCOc1ccc(-n2ccc3c(OC)c(OC)c(OC)cc32)cc1O
InChIInChI=1S/C18H19NO5/c1-21-15-6-5-11(9-14(15)20)19-8-7-12-13(19)10-16(22-2)18(24-4)17(12)23-3/h5-10,20H,1-4H3
InChIKeyYBIKFKKPMZWZNA-UHFFFAOYSA-N
XLogP3.37
TPSA62.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-Dimethoxy-4-(3,4-dimethoxyphenoxy)quinoline
CID 9927943
5,6,7-Trimethoxy-3-pyridin-4-yl-quinoline
CID 9994707
4-(6,7-Dimethoxy-quinolin-3-yl)-phenol
CID 11778467
6,7-Dimethoxy-4-(3-methoxyphenoxy)quinoline
CID 22132666
2-Methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenol
CID 25067808
1-Methyl-5-[1-(3,4,5-trimethoxyphenyl)ethyl]indole
CID 52914800
(NE)-N-[[1-methyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidene]hydroxylamine
CID 145988046
6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine
CID 5330475
4-(2,3-Dimethoxy-phenoxy)-6,7-dimethoxy-quinoline
CID 44331261
3-(6,7-Dimethoxy-quinolin-4-yloxy)-phenol
CID 22646527
(4-Hydroxy-5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 24906249
[1-Ethyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-2-yl]methanol
CID 166629762

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol?
The IUPAC name of 2-methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol (CID 54768181) is 2-methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol.
What is the SMILES notation for 2-methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol?
The canonical SMILES for 2-methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol is COc1ccc(-n2ccc3c(OC)c(OC)c(OC)cc32)cc1O.
What is the InChIKey of 2-methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol?
The InChIKey is YBIKFKKPMZWZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-21-15-6-5-11(9-14(15)20)19-8-7-12-13(19)10-16(22-2)18(24-4)17(12)23-3/h5-10,20H,1-4H3.
What are the key properties of 2-methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol?
2-methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol has a molecular weight of 329.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol is sourced from PubChem (CID 54768181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).