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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Related Compounds

3-[(3-Methoxyphenyl)methyl]-5,6-dimethyl-1,3-benzoxazol-2-one
CID 52941350
5-(3-methoxyphenyl)-3-methyl-6-propyl-7,8-dihydro-5H-[1,3]oxazolo[5,4-g]isoquinolin-2-one
CID 46225924
5-(3-methoxyphenyl)-3-methyl-6-nonyl-7,8-dihydro-5H-[1,3]oxazolo[5,4-g]isoquinolin-2-one
CID 46225942
6-ethyl-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-2-one
CID 10047931
3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-phenyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-2-one
CID 11754523
7-Methyl-5-naphthalen-2-yl-1,5,7,8-tetrahydropyrano[4,3-f][1,3]benzoxazol-2-one
CID 70664781
6,12,16-Trimethylspiro[18-oxa-16-azapentacyclo[11.7.0.02,10.03,8.015,19]icosa-1(20),2(10),3(8),4,6,11,13,15(19)-octaene-9,1'-cyclooctane]-17-one
CID 70935656
(7-methyl-5-naphthalen-2-yl-2-oxo-5H-pyrano[4,3-f][1,3]benzoxazol-1-yl) perchlorate
CID 88880224
3,6-Dimethyl-5-phenyl-1,3-benzoxazol-2-one
CID 123658257
6-(9H-fluoren-1-yl)-3H-1,3-benzoxazol-2-one
CID 157934059
3,4,5-Triphenyl-1,3-benzoxazol-2-one
CID 165389236
N-(9,9-dimethylfluoren-2-yl)-N-(3,3,5-trimethyl-2H-1-benzofuran-7-yl)acetamide
CID 168253343

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).