9-ethoxy-3-phenyl-9H-indeno[1,2-f][1,3]benzoxazol-2-one

C22H17NO3 — CID 102596470

IUPAC9-ethoxy-3-phenyl-9H-indeno[1,2-f][1,3]benzoxazol-2-one
SMILESCCOC1c2ccccc2-c2cc3c(cc21)oc(=O)n3-c1ccccc1
InChIInChI=1S/C22H17NO3/c1-2-25-21-16-11-7-6-10-15(16)17-12-19-20(13-18(17)21)26-22(24)23(19)14-8-4-3-5-9-14/h3-13,21H,2H2,1H3
InChIKeyYWKKPOQBPXNJGD-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.69
Rot. Bonds3

About 9-ethoxy-3-phenyl-9H-indeno[1,2-f][1,3]benzoxazol-2-one

9-ethoxy-3-phenyl-9H-indeno[1,2-f][1,3]benzoxazol-2-one (PubChem CID 102596470) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is 9-ethoxy-3-phenyl-9H-indeno[1,2-f][1,3]benzoxazol-2-one.

Molecular Properties

Compound Name9-ethoxy-3-phenyl-9H-indeno[1,2-f][1,3]benzoxazol-2-one
PubChem CID102596470
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name9-ethoxy-3-phenyl-9H-indeno[1,2-f][1,3]benzoxazol-2-one
SMILESCCOC1c2ccccc2-c2cc3c(cc21)oc(=O)n3-c1ccccc1
InChIInChI=1S/C22H17NO3/c1-2-25-21-16-11-7-6-10-15(16)17-12-19-20(13-18(17)21)26-22(24)23(19)14-8-4-3-5-9-14/h3-13,21H,2H2,1H3
InChIKeyYWKKPOQBPXNJGD-UHFFFAOYSA-N
XLogP4.69
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-ethoxy-3-phenyl-9H-indeno[1,2-f][1,3]benzoxazol-2-one?
The IUPAC name of 9-ethoxy-3-phenyl-9H-indeno[1,2-f][1,3]benzoxazol-2-one (CID 102596470) is 9-ethoxy-3-phenyl-9H-indeno[1,2-f][1,3]benzoxazol-2-one.
What is the SMILES notation for 9-ethoxy-3-phenyl-9H-indeno[1,2-f][1,3]benzoxazol-2-one?
The canonical SMILES for 9-ethoxy-3-phenyl-9H-indeno[1,2-f][1,3]benzoxazol-2-one is CCOC1c2ccccc2-c2cc3c(cc21)oc(=O)n3-c1ccccc1.
What is the InChIKey of 9-ethoxy-3-phenyl-9H-indeno[1,2-f][1,3]benzoxazol-2-one?
The InChIKey is YWKKPOQBPXNJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c1-2-25-21-16-11-7-6-10-15(16)17-12-19-20(13-18(17)21)26-22(24)23(19)14-8-4-3-5-9-14/h3-13,21H,2H2,1H3.
What are the key properties of 9-ethoxy-3-phenyl-9H-indeno[1,2-f][1,3]benzoxazol-2-one?
9-ethoxy-3-phenyl-9H-indeno[1,2-f][1,3]benzoxazol-2-one has a molecular weight of 343.38 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethoxy-3-phenyl-9H-indeno[1,2-f][1,3]benzoxazol-2-one is sourced from PubChem (CID 102596470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).