4,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole

C17H17NO3 — CID 15268585

IUPAC4,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole
SMILESCOc1ccc(-c2c[nH]c3cc(OC)cc(OC)c23)cc1
InChIInChI=1S/C17H17NO3/c1-19-12-6-4-11(5-7-12)14-10-18-15-8-13(20-2)9-16(21-3)17(14)15/h4-10,18H,1-3H3
InChIKeyIOTYWLGETOFSSK-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.86
Rot. Bonds4

About 4,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole

4,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole (PubChem CID 15268585) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole.

Molecular Properties

Compound Name4,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole
PubChem CID15268585
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name4,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole
SMILESCOc1ccc(-c2c[nH]c3cc(OC)cc(OC)c23)cc1
InChIInChI=1S/C17H17NO3/c1-19-12-6-4-11(5-7-12)14-10-18-15-8-13(20-2)9-16(21-3)17(14)15/h4-10,18H,1-3H3
InChIKeyIOTYWLGETOFSSK-UHFFFAOYSA-N
XLogP3.86
TPSA43.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole
CID 11033510
4-(4,6-dimethoxy-1H-indol-3-yl)phenol
CID 11391542
5,7-dimethoxy-4-phenyl-1H-quinolin-2-one
CID 91614117
4-(4,6-dimethoxy-1H-indol-3-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 59805801
1-methoxy-2,4-bis(4-methoxyphenyl)benzene
CID 102598609
4,6-dimethoxy-3-piperidin-4-yl-1H-indole
CID 82212376
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
methyl 3-(4,6-dimethoxy-1H-indol-3-yl)-3-oxopropanoate
CID 82667530
6-chloro-3-(4-methoxyphenyl)-1H-quinolin-4-one
CID 166443646
7-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-4-one
CID 71356875
methyl 3-(4-methoxyphenyl)-1H-indole-6-carboxylate
CID 15428719
7-methoxy-3-phenyl-1H-quinolin-4-one
CID 18771325

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole?
The IUPAC name of 4,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole (CID 15268585) is 4,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole.
What is the SMILES notation for 4,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole?
The canonical SMILES for 4,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole is COc1ccc(-c2c[nH]c3cc(OC)cc(OC)c23)cc1.
What is the InChIKey of 4,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole?
The InChIKey is IOTYWLGETOFSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-19-12-6-4-11(5-7-12)14-10-18-15-8-13(20-2)9-16(21-3)17(14)15/h4-10,18H,1-3H3.
What are the key properties of 4,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole?
4,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole has a molecular weight of 283.33 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole is sourced from PubChem (CID 15268585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).