(11Z)-11-(bromomethylidene)-6H-benzo[c][1]benzoxepine

C15H11BrO — CID 69273188

IUPAC(11Z)-11-(bromomethylidene)-6H-benzo[c][1]benzoxepine
SMILESBr/C=C1/c2ccccc2COc2ccccc21
InChIInChI=1S/C15H11BrO/c16-9-14-12-6-2-1-5-11(12)10-17-15-8-4-3-7-13(14)15/h1-9H,10H2/b14-9-
InChIKeyOPHWOPVZQIXBFW-ZROIWOOFSA-N
MW287.16 g/mol
LogP4.36
Rot. Bonds

About (11Z)-11-(bromomethylidene)-6H-benzo[c][1]benzoxepine

(11Z)-11-(bromomethylidene)-6H-benzo[c][1]benzoxepine (PubChem CID 69273188) has the molecular formula C15H11BrO and a molecular weight of 287.16 g/mol. Its IUPAC name is (11Z)-11-(bromomethylidene)-6H-benzo[c][1]benzoxepine.

Molecular Properties

Compound Name(11Z)-11-(bromomethylidene)-6H-benzo[c][1]benzoxepine
PubChem CID69273188
Molecular FormulaC15H11BrO
Molecular Weight287.16 g/mol
Exact Mass286.00
IUPAC Name(11Z)-11-(bromomethylidene)-6H-benzo[c][1]benzoxepine
SMILESBr/C=C1/c2ccccc2COc2ccccc21
InChIInChI=1S/C15H11BrO/c16-9-14-12-6-2-1-5-11(12)10-17-15-8-4-3-7-13(14)15/h1-9H,10H2/b14-9-
InChIKeyOPHWOPVZQIXBFW-ZROIWOOFSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (11Z)-11-(bromomethylidene)-6H-benzo[c][1]benzoxepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(11E)-11-ethylidene-6H-benzo[c][1]benzoxepine
CID 142906679
6H-benzo[c]chromene;hydrobromide
CID 70547533
(11Z)-11-butylidene-6H-benzo[c][1]benzoxepine
CID 59586813
11-(3-chloropropylidene)-6H-benzo[c][1]benzoxepine
CID 67069125
methyl 2-(6H-benzo[c][1]benzoxepin-11-ylidene)acetate
CID 139710128
[(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methylazanium
CID 86308724
3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methylpropan-1-amine;hydrochloride
CID 17908
(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-diethylpropan-1-amine
CID 139024692
(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methyl-N-trimethylsilylpropan-1-amine
CID 91709650
(4E)-4-[(2-bromophenyl)methylidene]-1H-isochromen-3-one
CID 11056145
3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl-methylcarbamic acid
CID 67789768
(11E)-11-(bromomethylidene)-8-fluoro-5H-[1]benzoxepino[3,4-b]pyridine;(11E)-11-(bromomethylidene)-8-fluoro-6H-[2]benzoxepino[3,4-b]pyridine
CID 159489085

Frequently Asked Questions

What is the IUPAC name of (11Z)-11-(bromomethylidene)-6H-benzo[c][1]benzoxepine?
The IUPAC name of (11Z)-11-(bromomethylidene)-6H-benzo[c][1]benzoxepine (CID 69273188) is (11Z)-11-(bromomethylidene)-6H-benzo[c][1]benzoxepine.
What is the SMILES notation for (11Z)-11-(bromomethylidene)-6H-benzo[c][1]benzoxepine?
The canonical SMILES for (11Z)-11-(bromomethylidene)-6H-benzo[c][1]benzoxepine is Br/C=C1/c2ccccc2COc2ccccc21.
What is the InChIKey of (11Z)-11-(bromomethylidene)-6H-benzo[c][1]benzoxepine?
The InChIKey is OPHWOPVZQIXBFW-ZROIWOOFSA-N. The full InChI is InChI=1S/C15H11BrO/c16-9-14-12-6-2-1-5-11(12)10-17-15-8-4-3-7-13(14)15/h1-9H,10H2/b14-9-.
What are the key properties of (11Z)-11-(bromomethylidene)-6H-benzo[c][1]benzoxepine?
(11Z)-11-(bromomethylidene)-6H-benzo[c][1]benzoxepine has a molecular weight of 287.16 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z)-11-(bromomethylidene)-6H-benzo[c][1]benzoxepine is sourced from PubChem (CID 69273188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).