3-phenyl-5,6,7,8-tetrahydrobenzo[f][1,2]benzoxazole

C17H15NO — CID 153492990

IUPAC3-phenyl-5,6,7,8-tetrahydrobenzo[f][1,2]benzoxazole
SMILESc1ccc(-c2noc3cc4c(cc23)CCCC4)cc1
InChIInChI=1S/C17H15NO/c1-2-6-12(7-3-1)17-15-10-13-8-4-5-9-14(13)11-16(15)19-18-17/h1-3,6-7,10-11H,4-5,8-9H2
InChIKeyXEPBSRGJHUGDOM-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.37
Rot. Bonds1

About 3-phenyl-5,6,7,8-tetrahydrobenzo[f][1,2]benzoxazole

3-phenyl-5,6,7,8-tetrahydrobenzo[f][1,2]benzoxazole (PubChem CID 153492990) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-phenyl-5,6,7,8-tetrahydrobenzo[f][1,2]benzoxazole.

Molecular Properties

Compound Name3-phenyl-5,6,7,8-tetrahydrobenzo[f][1,2]benzoxazole
PubChem CID153492990
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name3-phenyl-5,6,7,8-tetrahydrobenzo[f][1,2]benzoxazole
SMILESc1ccc(-c2noc3cc4c(cc23)CCCC4)cc1
InChIInChI=1S/C17H15NO/c1-2-6-12(7-3-1)17-15-10-13-8-4-5-9-14(13)11-16(15)19-18-17/h1-3,6-7,10-11H,4-5,8-9H2
InChIKeyXEPBSRGJHUGDOM-UHFFFAOYSA-N
XLogP4.37
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-6-methoxy-3-phenyl-1,2-benzoxazole
CID 15084637
methanamine;methane;3-phenyl-1,2-benzoxazole
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5-nitro-3-phenyl-1,2-benzoxazole
CID 762566
4-phenyl-2,6,7,8-tetrahydrocyclopenta[g]phthalazin-1-one
CID 15190690
7,8,9,10-tetrahydronaphtho[2,3-b][1]benzofuran
CID 169029788
acetic acid;ethane;3-phenyl-1,2-benzoxazole
CID 143217944
6-chloro-3-phenyl-1,2-benzoxazole;methanamine;prop-1-ene
CID 174369929
trimethyl-(3-phenyl-5,6,7,8-tetrahydroisoquinolin-4-yl)silane
CID 11391887
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2-benzoxazole
CID 153493031
1-phenyl-5,6,7,8-tetrahydrophthalazine
CID 102496179
3,4-diphenyl-5,6,7,8-tetrahydroisoquinoline
CID 10850716
2-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;iridium;3-phenyl-5,6,7,8-tetrahydrobenzo[f][1,2]benzoxazole
CID 153492989

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5,6,7,8-tetrahydrobenzo[f][1,2]benzoxazole?
The IUPAC name of 3-phenyl-5,6,7,8-tetrahydrobenzo[f][1,2]benzoxazole (CID 153492990) is 3-phenyl-5,6,7,8-tetrahydrobenzo[f][1,2]benzoxazole.
What is the SMILES notation for 3-phenyl-5,6,7,8-tetrahydrobenzo[f][1,2]benzoxazole?
The canonical SMILES for 3-phenyl-5,6,7,8-tetrahydrobenzo[f][1,2]benzoxazole is c1ccc(-c2noc3cc4c(cc23)CCCC4)cc1.
What is the InChIKey of 3-phenyl-5,6,7,8-tetrahydrobenzo[f][1,2]benzoxazole?
The InChIKey is XEPBSRGJHUGDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-2-6-12(7-3-1)17-15-10-13-8-4-5-9-14(13)11-16(15)19-18-17/h1-3,6-7,10-11H,4-5,8-9H2.
What are the key properties of 3-phenyl-5,6,7,8-tetrahydrobenzo[f][1,2]benzoxazole?
3-phenyl-5,6,7,8-tetrahydrobenzo[f][1,2]benzoxazole has a molecular weight of 249.31 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5,6,7,8-tetrahydrobenzo[f][1,2]benzoxazole is sourced from PubChem (CID 153492990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).