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

C22H19NO3 — CID 44581812

IUPACethyl 6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(cn1)Cc1ccc(OCc3ccccc3)cc1-2
InChIInChI=1S/C22H19NO3/c1-2-25-22(24)21-12-20-17(13-23-21)10-16-8-9-18(11-19(16)20)26-14-15-6-4-3-5-7-15/h3-9,11-13H,2,10,14H2,1H3
InChIKeyYXINWZOIZZUGSQ-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.41
Rot. Bonds5

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

ethyl 6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate (PubChem CID 44581812) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is ethyl 6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate
PubChem CID44581812
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Nameethyl 6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(cn1)Cc1ccc(OCc3ccccc3)cc1-2
InChIInChI=1S/C22H19NO3/c1-2-25-22(24)21-12-20-17(13-23-21)10-16-8-9-18(11-19(16)20)26-14-15-6-4-3-5-7-15/h3-9,11-13H,2,10,14H2,1H3
InChIKeyYXINWZOIZZUGSQ-UHFFFAOYSA-N
XLogP4.41
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate (CID 44581812) is ethyl 6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate is CCOC(=O)c1cc2c(cn1)Cc1ccc(OCc3ccccc3)cc1-2.
What is the InChIKey of ethyl 6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate?
The InChIKey is YXINWZOIZZUGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-2-25-22(24)21-12-20-17(13-23-21)10-16-8-9-18(11-19(16)20)26-14-15-6-4-3-5-7-15/h3-9,11-13H,2,10,14H2,1H3.
What are the key properties of ethyl 6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate?
ethyl 6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate is sourced from PubChem (CID 44581812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).