ethyl 4-(methoxymethyl)-6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate

C24H23NO4 — CID 44581824

IUPACethyl 4-(methoxymethyl)-6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1ncc2c(c1COC)-c1cc(OCc3ccccc3)ccc1C2
InChIInChI=1S/C24H23NO4/c1-3-28-24(26)23-21(15-27-2)22-18(13-25-23)11-17-9-10-19(12-20(17)22)29-14-16-7-5-4-6-8-16/h4-10,12-13H,3,11,14-15H2,1-2H3
InChIKeyULICUHWGLBSFJL-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.55
Rot. Bonds7

About ethyl 4-(methoxymethyl)-6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate

ethyl 4-(methoxymethyl)-6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate (PubChem CID 44581824) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is ethyl 4-(methoxymethyl)-6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(methoxymethyl)-6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate
PubChem CID44581824
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Nameethyl 4-(methoxymethyl)-6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1ncc2c(c1COC)-c1cc(OCc3ccccc3)ccc1C2
InChIInChI=1S/C24H23NO4/c1-3-28-24(26)23-21(15-27-2)22-18(13-25-23)11-17-9-10-19(12-20(17)22)29-14-16-7-5-4-6-8-16/h4-10,12-13H,3,11,14-15H2,1-2H3
InChIKeyULICUHWGLBSFJL-UHFFFAOYSA-N
XLogP4.55
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(methoxymethyl)-6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 4-(methoxymethyl)-6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate (CID 44581824) is ethyl 4-(methoxymethyl)-6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(methoxymethyl)-6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(methoxymethyl)-6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate is CCOC(=O)c1ncc2c(c1COC)-c1cc(OCc3ccccc3)ccc1C2.
What is the InChIKey of ethyl 4-(methoxymethyl)-6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate?
The InChIKey is ULICUHWGLBSFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-3-28-24(26)23-21(15-27-2)22-18(13-25-23)11-17-9-10-19(12-20(17)22)29-14-16-7-5-4-6-8-16/h4-10,12-13H,3,11,14-15H2,1-2H3.
What are the key properties of ethyl 4-(methoxymethyl)-6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate?
ethyl 4-(methoxymethyl)-6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate has a molecular weight of 389.45 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(methoxymethyl)-6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate is sourced from PubChem (CID 44581824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).