1,2-dihydrobenzo[e][1,3]benzoxazole

C11H9NO — CID 67826426

IUPAC1,2-dihydrobenzo[e][1,3]benzoxazole
SMILESc1ccc2c3c(ccc2c1)OCN3
InChIInChI=1S/C11H9NO/c1-2-4-9-8(3-1)5-6-10-11(9)12-7-13-10/h1-6,12H,7H2
InChIKeyJIKBWQQDHWHMBA-UHFFFAOYSA-N
MW171.20 g/mol
LogP2.60
Rot. Bonds

About 1,2-dihydrobenzo[e][1,3]benzoxazole

1,2-dihydrobenzo[e][1,3]benzoxazole (PubChem CID 67826426) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 1,2-dihydrobenzo[e][1,3]benzoxazole.

Molecular Properties

Compound Name1,2-dihydrobenzo[e][1,3]benzoxazole
PubChem CID67826426
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name1,2-dihydrobenzo[e][1,3]benzoxazole
SMILESc1ccc2c3c(ccc2c1)OCN3
InChIInChI=1S/C11H9NO/c1-2-4-9-8(3-1)5-6-10-11(9)12-7-13-10/h1-6,12H,7H2
InChIKeyJIKBWQQDHWHMBA-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydrobenzo[e][1,3]benzoxazole?
The IUPAC name of 1,2-dihydrobenzo[e][1,3]benzoxazole (CID 67826426) is 1,2-dihydrobenzo[e][1,3]benzoxazole.
What is the SMILES notation for 1,2-dihydrobenzo[e][1,3]benzoxazole?
The canonical SMILES for 1,2-dihydrobenzo[e][1,3]benzoxazole is c1ccc2c3c(ccc2c1)OCN3.
What is the InChIKey of 1,2-dihydrobenzo[e][1,3]benzoxazole?
The InChIKey is JIKBWQQDHWHMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c1-2-4-9-8(3-1)5-6-10-11(9)12-7-13-10/h1-6,12H,7H2.
What are the key properties of 1,2-dihydrobenzo[e][1,3]benzoxazole?
1,2-dihydrobenzo[e][1,3]benzoxazole has a molecular weight of 171.20 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydrobenzo[e][1,3]benzoxazole is sourced from PubChem (CID 67826426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).