1-benzo[b]phenoxazin-12-ylethanone

C18H13NO2 — CID 781104

IUPAC1-benzo[b]phenoxazin-12-ylethanone
SMILESCC(=O)N1c2ccccc2Oc2cc3ccccc3cc21
InChIInChI=1S/C18H13NO2/c1-12(20)19-15-8-4-5-9-17(15)21-18-11-14-7-3-2-6-13(14)10-16(18)19/h2-11H,1H3
InChIKeyRELZNYSCNUGDRH-UHFFFAOYSA-N
MW275.31 g/mol
LogP4.63
Rot. Bonds

About 1-benzo[b]phenoxazin-12-ylethanone

1-benzo[b]phenoxazin-12-ylethanone (PubChem CID 781104) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-benzo[b]phenoxazin-12-ylethanone.

Molecular Properties

Compound Name1-benzo[b]phenoxazin-12-ylethanone
PubChem CID781104
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name1-benzo[b]phenoxazin-12-ylethanone
SMILESCC(=O)N1c2ccccc2Oc2cc3ccccc3cc21
InChIInChI=1S/C18H13NO2/c1-12(20)19-15-8-4-5-9-17(15)21-18-11-14-7-3-2-6-13(14)10-16(18)19/h2-11H,1H3
InChIKeyRELZNYSCNUGDRH-UHFFFAOYSA-N
XLogP4.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzo[b]phenoxazin-12-ylethanone?
The IUPAC name of 1-benzo[b]phenoxazin-12-ylethanone (CID 781104) is 1-benzo[b]phenoxazin-12-ylethanone.
What is the SMILES notation for 1-benzo[b]phenoxazin-12-ylethanone?
The canonical SMILES for 1-benzo[b]phenoxazin-12-ylethanone is CC(=O)N1c2ccccc2Oc2cc3ccccc3cc21.
What is the InChIKey of 1-benzo[b]phenoxazin-12-ylethanone?
The InChIKey is RELZNYSCNUGDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c1-12(20)19-15-8-4-5-9-17(15)21-18-11-14-7-3-2-6-13(14)10-16(18)19/h2-11H,1H3.
What are the key properties of 1-benzo[b]phenoxazin-12-ylethanone?
1-benzo[b]phenoxazin-12-ylethanone has a molecular weight of 275.31 g/mol, XLogP of 4.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzo[b]phenoxazin-12-ylethanone is sourced from PubChem (CID 781104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).