1-[3-(2-bromophenoxy)phenyl]-2-iminoethanone

C14H10BrNO2 — CID 57035690

IUPAC1-[3-(2-bromophenoxy)phenyl]-2-iminoethanone
SMILES[H]/N=C/C(=O)c1cccc(Oc2ccccc2Br)c1
InChIInChI=1S/C14H10BrNO2/c15-12-6-1-2-7-14(12)18-11-5-3-4-10(8-11)13(17)9-16/h1-9,16H/b16-9+
InChIKeyDNXMYDMBBQRURS-CXUHLZMHSA-N
MW304.14 g/mol
LogP4.07
Rot. Bonds4

About 1-[3-(2-bromophenoxy)phenyl]-2-iminoethanone

1-[3-(2-bromophenoxy)phenyl]-2-iminoethanone (PubChem CID 57035690) has the molecular formula C14H10BrNO2 and a molecular weight of 304.14 g/mol. Its IUPAC name is 1-[3-(2-bromophenoxy)phenyl]-2-iminoethanone.

Molecular Properties

Compound Name1-[3-(2-bromophenoxy)phenyl]-2-iminoethanone
PubChem CID57035690
Molecular FormulaC14H10BrNO2
Molecular Weight304.14 g/mol
Exact Mass302.99
IUPAC Name1-[3-(2-bromophenoxy)phenyl]-2-iminoethanone
SMILES[H]/N=C/C(=O)c1cccc(Oc2ccccc2Br)c1
InChIInChI=1S/C14H10BrNO2/c15-12-6-1-2-7-14(12)18-11-5-3-4-10(8-11)13(17)9-16/h1-9,16H/b16-9+
InChIKeyDNXMYDMBBQRURS-CXUHLZMHSA-N
XLogP4.07
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-bromophenoxy)phenyl]-2-iminoethanone?
The IUPAC name of 1-[3-(2-bromophenoxy)phenyl]-2-iminoethanone (CID 57035690) is 1-[3-(2-bromophenoxy)phenyl]-2-iminoethanone.
What is the SMILES notation for 1-[3-(2-bromophenoxy)phenyl]-2-iminoethanone?
The canonical SMILES for 1-[3-(2-bromophenoxy)phenyl]-2-iminoethanone is [H]/N=C/C(=O)c1cccc(Oc2ccccc2Br)c1.
What is the InChIKey of 1-[3-(2-bromophenoxy)phenyl]-2-iminoethanone?
The InChIKey is DNXMYDMBBQRURS-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H10BrNO2/c15-12-6-1-2-7-14(12)18-11-5-3-4-10(8-11)13(17)9-16/h1-9,16H/b16-9+.
What are the key properties of 1-[3-(2-bromophenoxy)phenyl]-2-iminoethanone?
1-[3-(2-bromophenoxy)phenyl]-2-iminoethanone has a molecular weight of 304.14 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-bromophenoxy)phenyl]-2-iminoethanone is sourced from PubChem (CID 57035690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).