(5-ethoxy-1H-indol-2-yl)-(1H-indol-2-yl)methanone

C19H16N2O2 — CID 5330537

IUPAC(5-ethoxy-1H-indol-2-yl)-(1H-indol-2-yl)methanone
SMILESCCOc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C19H16N2O2/c1-2-23-14-7-8-16-13(9-14)11-18(21-16)19(22)17-10-12-5-3-4-6-15(12)20-17/h3-11,20-21H,2H2,1H3
InChIKeyRGOXESBZWFRLIB-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.28
Rot. Bonds4

About (5-ethoxy-1H-indol-2-yl)-(1H-indol-2-yl)methanone

(5-ethoxy-1H-indol-2-yl)-(1H-indol-2-yl)methanone (PubChem CID 5330537) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is (5-ethoxy-1H-indol-2-yl)-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(5-ethoxy-1H-indol-2-yl)-(1H-indol-2-yl)methanone
PubChem CID5330537
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name(5-ethoxy-1H-indol-2-yl)-(1H-indol-2-yl)methanone
SMILESCCOc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C19H16N2O2/c1-2-23-14-7-8-16-13(9-14)11-18(21-16)19(22)17-10-12-5-3-4-6-15(12)20-17/h3-11,20-21H,2H2,1H3
InChIKeyRGOXESBZWFRLIB-UHFFFAOYSA-N
XLogP4.28
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-1H-indol-2-yl)-(1H-indol-2-yl)methanone?
The IUPAC name of (5-ethoxy-1H-indol-2-yl)-(1H-indol-2-yl)methanone (CID 5330537) is (5-ethoxy-1H-indol-2-yl)-(1H-indol-2-yl)methanone.
What is the SMILES notation for (5-ethoxy-1H-indol-2-yl)-(1H-indol-2-yl)methanone?
The canonical SMILES for (5-ethoxy-1H-indol-2-yl)-(1H-indol-2-yl)methanone is CCOc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1.
What is the InChIKey of (5-ethoxy-1H-indol-2-yl)-(1H-indol-2-yl)methanone?
The InChIKey is RGOXESBZWFRLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-2-23-14-7-8-16-13(9-14)11-18(21-16)19(22)17-10-12-5-3-4-6-15(12)20-17/h3-11,20-21H,2H2,1H3.
What are the key properties of (5-ethoxy-1H-indol-2-yl)-(1H-indol-2-yl)methanone?
(5-ethoxy-1H-indol-2-yl)-(1H-indol-2-yl)methanone has a molecular weight of 304.35 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-1H-indol-2-yl)-(1H-indol-2-yl)methanone is sourced from PubChem (CID 5330537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).