6-methoxy-1-phenacylindole-2-carboxylic acid

C18H15NO4 — CID 20888253

IUPAC6-methoxy-1-phenacylindole-2-carboxylic acid
SMILESCOc1ccc2cc(C(=O)O)n(CC(=O)c3ccccc3)c2c1
InChIInChI=1S/C18H15NO4/c1-23-14-8-7-13-9-16(18(21)22)19(15(13)10-14)11-17(20)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,21,22)
InChIKeyIQULHXAEKOJKME-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.23
Rot. Bonds5

About 6-methoxy-1-phenacylindole-2-carboxylic acid

6-methoxy-1-phenacylindole-2-carboxylic acid (PubChem CID 20888253) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 6-methoxy-1-phenacylindole-2-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-1-phenacylindole-2-carboxylic acid
PubChem CID20888253
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name6-methoxy-1-phenacylindole-2-carboxylic acid
SMILESCOc1ccc2cc(C(=O)O)n(CC(=O)c3ccccc3)c2c1
InChIInChI=1S/C18H15NO4/c1-23-14-8-7-13-9-16(18(21)22)19(15(13)10-14)11-17(20)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,21,22)
InChIKeyIQULHXAEKOJKME-UHFFFAOYSA-N
XLogP3.23
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-phenacylindole-2-carboxylic acid?
The IUPAC name of 6-methoxy-1-phenacylindole-2-carboxylic acid (CID 20888253) is 6-methoxy-1-phenacylindole-2-carboxylic acid.
What is the SMILES notation for 6-methoxy-1-phenacylindole-2-carboxylic acid?
The canonical SMILES for 6-methoxy-1-phenacylindole-2-carboxylic acid is COc1ccc2cc(C(=O)O)n(CC(=O)c3ccccc3)c2c1.
What is the InChIKey of 6-methoxy-1-phenacylindole-2-carboxylic acid?
The InChIKey is IQULHXAEKOJKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-23-14-8-7-13-9-16(18(21)22)19(15(13)10-14)11-17(20)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of 6-methoxy-1-phenacylindole-2-carboxylic acid?
6-methoxy-1-phenacylindole-2-carboxylic acid has a molecular weight of 309.32 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-phenacylindole-2-carboxylic acid is sourced from PubChem (CID 20888253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).