ethyl 2,2-bis(5-methoxy-1H-indol-3-yl)acetate

C22H22N2O4 — CID 122369666

IUPACethyl 2,2-bis(5-methoxy-1H-indol-3-yl)acetate
SMILESCCOC(=O)C(c1c[nH]c2ccc(OC)cc12)c1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C22H22N2O4/c1-4-28-22(25)21(17-11-23-19-7-5-13(26-2)9-15(17)19)18-12-24-20-8-6-14(27-3)10-16(18)20/h5-12,21,23-24H,4H2,1-3H3
InChIKeyTTYOPZQBSNYSEI-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.36
Rot. Bonds6

About ethyl 2,2-bis(5-methoxy-1H-indol-3-yl)acetate

ethyl 2,2-bis(5-methoxy-1H-indol-3-yl)acetate (PubChem CID 122369666) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is ethyl 2,2-bis(5-methoxy-1H-indol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2,2-bis(5-methoxy-1H-indol-3-yl)acetate
PubChem CID122369666
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Nameethyl 2,2-bis(5-methoxy-1H-indol-3-yl)acetate
SMILESCCOC(=O)C(c1c[nH]c2ccc(OC)cc12)c1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C22H22N2O4/c1-4-28-22(25)21(17-11-23-19-7-5-13(26-2)9-15(17)19)18-12-24-20-8-6-14(27-3)10-16(18)20/h5-12,21,23-24H,4H2,1-3H3
InChIKeyTTYOPZQBSNYSEI-UHFFFAOYSA-N
XLogP4.36
TPSA76.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-bis(5-methoxy-1H-indol-3-yl)acetate?
The IUPAC name of ethyl 2,2-bis(5-methoxy-1H-indol-3-yl)acetate (CID 122369666) is ethyl 2,2-bis(5-methoxy-1H-indol-3-yl)acetate.
What is the SMILES notation for ethyl 2,2-bis(5-methoxy-1H-indol-3-yl)acetate?
The canonical SMILES for ethyl 2,2-bis(5-methoxy-1H-indol-3-yl)acetate is CCOC(=O)C(c1c[nH]c2ccc(OC)cc12)c1c[nH]c2ccc(OC)cc12.
What is the InChIKey of ethyl 2,2-bis(5-methoxy-1H-indol-3-yl)acetate?
The InChIKey is TTYOPZQBSNYSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-4-28-22(25)21(17-11-23-19-7-5-13(26-2)9-15(17)19)18-12-24-20-8-6-14(27-3)10-16(18)20/h5-12,21,23-24H,4H2,1-3H3.
What are the key properties of ethyl 2,2-bis(5-methoxy-1H-indol-3-yl)acetate?
ethyl 2,2-bis(5-methoxy-1H-indol-3-yl)acetate has a molecular weight of 378.43 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-bis(5-methoxy-1H-indol-3-yl)acetate is sourced from PubChem (CID 122369666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).