(3,4-dimethoxyphenyl)-(5-methoxyindol-1-yl)methanone

C18H17NO4 — CID 11426915

IUPAC(3,4-dimethoxyphenyl)-(5-methoxyindol-1-yl)methanone
SMILESCOc1ccc2c(ccn2C(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C18H17NO4/c1-21-14-5-6-15-12(10-14)8-9-19(15)18(20)13-4-7-16(22-2)17(11-13)23-3/h4-11H,1-3H3
InChIKeyGJOVTQRWHRQVMP-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.36
Rot. Bonds4

About (3,4-dimethoxyphenyl)-(5-methoxyindol-1-yl)methanone

(3,4-dimethoxyphenyl)-(5-methoxyindol-1-yl)methanone (PubChem CID 11426915) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(5-methoxyindol-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(5-methoxyindol-1-yl)methanone
PubChem CID11426915
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name(3,4-dimethoxyphenyl)-(5-methoxyindol-1-yl)methanone
SMILESCOc1ccc2c(ccn2C(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C18H17NO4/c1-21-14-5-6-15-12(10-14)8-9-19(15)18(20)13-4-7-16(22-2)17(11-13)23-3/h4-11H,1-3H3
InChIKeyGJOVTQRWHRQVMP-UHFFFAOYSA-N
XLogP3.36
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(5-methoxyindol-1-yl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(5-methoxyindol-1-yl)methanone (CID 11426915) is (3,4-dimethoxyphenyl)-(5-methoxyindol-1-yl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(5-methoxyindol-1-yl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(5-methoxyindol-1-yl)methanone is COc1ccc2c(ccn2C(=O)c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of (3,4-dimethoxyphenyl)-(5-methoxyindol-1-yl)methanone?
The InChIKey is GJOVTQRWHRQVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-21-14-5-6-15-12(10-14)8-9-19(15)18(20)13-4-7-16(22-2)17(11-13)23-3/h4-11H,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-(5-methoxyindol-1-yl)methanone?
(3,4-dimethoxyphenyl)-(5-methoxyindol-1-yl)methanone has a molecular weight of 311.34 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(5-methoxyindol-1-yl)methanone is sourced from PubChem (CID 11426915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).