1-(4,6-dimethoxy-3-phenyl-1H-indol-7-yl)ethanone

C18H17NO3 — CID 11822552

IUPAC1-(4,6-dimethoxy-3-phenyl-1H-indol-7-yl)ethanone
SMILESCOc1cc(OC)c2c(-c3ccccc3)c[nH]c2c1C(C)=O
InChIInChI=1S/C18H17NO3/c1-11(20)16-14(21-2)9-15(22-3)17-13(10-19-18(16)17)12-7-5-4-6-8-12/h4-10,19H,1-3H3
InChIKeyFWIRCODQQMWBEO-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.05
Rot. Bonds4

About 1-(4,6-dimethoxy-3-phenyl-1H-indol-7-yl)ethanone

1-(4,6-dimethoxy-3-phenyl-1H-indol-7-yl)ethanone (PubChem CID 11822552) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-(4,6-dimethoxy-3-phenyl-1H-indol-7-yl)ethanone.

Molecular Properties

Compound Name1-(4,6-dimethoxy-3-phenyl-1H-indol-7-yl)ethanone
PubChem CID11822552
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name1-(4,6-dimethoxy-3-phenyl-1H-indol-7-yl)ethanone
SMILESCOc1cc(OC)c2c(-c3ccccc3)c[nH]c2c1C(C)=O
InChIInChI=1S/C18H17NO3/c1-11(20)16-14(21-2)9-15(22-3)17-13(10-19-18(16)17)12-7-5-4-6-8-12/h4-10,19H,1-3H3
InChIKeyFWIRCODQQMWBEO-UHFFFAOYSA-N
XLogP4.05
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4,6-dimethoxy-3-phenyl-1H-indol-7-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4,6-dimethoxy-3-phenyl-1H-indol-7-yl)methanol
CID 86172085
2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-7-yl]-2-oxo-N-phenylacetamide
CID 118727783
1-[(E)-(4,6-dimethoxy-3-phenyl-1H-indol-7-yl)methylideneamino]-3-ethylthiourea
CID 163196201
N'-(3-bromopyridine-4-carbonyl)-3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole-7-carbohydrazide
CID 127027353
1-(2,3,9,10-tetramethoxy-5,12-diphenylbenzo[a]anthracen-7-yl)ethanone
CID 3392783
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
1-(5-fluoro-2-methoxy-4-phenylphenyl)ethanone
CID 176614232
1-[3-(4-methoxynaphthalen-1-yl)phenyl]ethanone
CID 61033105
1-[4-phenyl-2-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]ethanone
CID 3598277
4,6-dimethoxy-3-phenyl-7-(2,2,2-trichloroacetyl)-1H-indole-2-carbaldehyde
CID 45117942
2,6-dimethoxy-3-phenylbenzoic acid
CID 68897922
1-[4-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
CID 14640948

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxy-3-phenyl-1H-indol-7-yl)ethanone?
The IUPAC name of 1-(4,6-dimethoxy-3-phenyl-1H-indol-7-yl)ethanone (CID 11822552) is 1-(4,6-dimethoxy-3-phenyl-1H-indol-7-yl)ethanone.
What is the SMILES notation for 1-(4,6-dimethoxy-3-phenyl-1H-indol-7-yl)ethanone?
The canonical SMILES for 1-(4,6-dimethoxy-3-phenyl-1H-indol-7-yl)ethanone is COc1cc(OC)c2c(-c3ccccc3)c[nH]c2c1C(C)=O.
What is the InChIKey of 1-(4,6-dimethoxy-3-phenyl-1H-indol-7-yl)ethanone?
The InChIKey is FWIRCODQQMWBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-11(20)16-14(21-2)9-15(22-3)17-13(10-19-18(16)17)12-7-5-4-6-8-12/h4-10,19H,1-3H3.
What are the key properties of 1-(4,6-dimethoxy-3-phenyl-1H-indol-7-yl)ethanone?
1-(4,6-dimethoxy-3-phenyl-1H-indol-7-yl)ethanone has a molecular weight of 295.34 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxy-3-phenyl-1H-indol-7-yl)ethanone is sourced from PubChem (CID 11822552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).