ethyl 6-methoxy-1-morpholin-4-yl-3-phenyl-1H-indene-2-carboxylate

C23H25NO4 — CID 11603303

IUPACethyl 6-methoxy-1-morpholin-4-yl-3-phenyl-1H-indene-2-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2C1N1CCOCC1
InChIInChI=1S/C23H25NO4/c1-3-28-23(25)21-20(16-7-5-4-6-8-16)18-10-9-17(26-2)15-19(18)22(21)24-11-13-27-14-12-24/h4-10,15,22H,3,11-14H2,1-2H3
InChIKeyRQEIDLLEYGNDAU-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.45
Rot. Bonds5

About ethyl 6-methoxy-1-morpholin-4-yl-3-phenyl-1H-indene-2-carboxylate

ethyl 6-methoxy-1-morpholin-4-yl-3-phenyl-1H-indene-2-carboxylate (PubChem CID 11603303) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is ethyl 6-methoxy-1-morpholin-4-yl-3-phenyl-1H-indene-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-methoxy-1-morpholin-4-yl-3-phenyl-1H-indene-2-carboxylate
PubChem CID11603303
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Nameethyl 6-methoxy-1-morpholin-4-yl-3-phenyl-1H-indene-2-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2C1N1CCOCC1
InChIInChI=1S/C23H25NO4/c1-3-28-23(25)21-20(16-7-5-4-6-8-16)18-10-9-17(26-2)15-19(18)22(21)24-11-13-27-14-12-24/h4-10,15,22H,3,11-14H2,1-2H3
InChIKeyRQEIDLLEYGNDAU-UHFFFAOYSA-N
XLogP3.45
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methoxy-1-morpholin-4-yl-3-phenyl-1H-indene-2-carboxylate?
The IUPAC name of ethyl 6-methoxy-1-morpholin-4-yl-3-phenyl-1H-indene-2-carboxylate (CID 11603303) is ethyl 6-methoxy-1-morpholin-4-yl-3-phenyl-1H-indene-2-carboxylate.
What is the SMILES notation for ethyl 6-methoxy-1-morpholin-4-yl-3-phenyl-1H-indene-2-carboxylate?
The canonical SMILES for ethyl 6-methoxy-1-morpholin-4-yl-3-phenyl-1H-indene-2-carboxylate is CCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2C1N1CCOCC1.
What is the InChIKey of ethyl 6-methoxy-1-morpholin-4-yl-3-phenyl-1H-indene-2-carboxylate?
The InChIKey is RQEIDLLEYGNDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-3-28-23(25)21-20(16-7-5-4-6-8-16)18-10-9-17(26-2)15-19(18)22(21)24-11-13-27-14-12-24/h4-10,15,22H,3,11-14H2,1-2H3.
What are the key properties of ethyl 6-methoxy-1-morpholin-4-yl-3-phenyl-1H-indene-2-carboxylate?
ethyl 6-methoxy-1-morpholin-4-yl-3-phenyl-1H-indene-2-carboxylate has a molecular weight of 379.46 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methoxy-1-morpholin-4-yl-3-phenyl-1H-indene-2-carboxylate is sourced from PubChem (CID 11603303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).