4-bromo-7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene

C15H13BrO — CID 134982344

IUPAC4-bromo-7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene
SMILESCOC1=CC=C(Br)C=CC1=C1C=CC=CC=C1
InChIInChI=1S/C15H13BrO/c1-17-15-11-9-13(16)8-10-14(15)12-6-4-2-3-5-7-12/h2-11H,1H3
InChIKeyYJSANSTWHFYVRW-UHFFFAOYSA-N
MW289.17 g/mol
LogP4.34
Rot. Bonds1

About 4-bromo-7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene

4-bromo-7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene (PubChem CID 134982344) has the molecular formula C15H13BrO and a molecular weight of 289.17 g/mol. Its IUPAC name is 4-bromo-7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene.

Molecular Properties

Compound Name4-bromo-7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene
PubChem CID134982344
Molecular FormulaC15H13BrO
Molecular Weight289.17 g/mol
Exact Mass288.01
IUPAC Name4-bromo-7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene
SMILESCOC1=CC=C(Br)C=CC1=C1C=CC=CC=C1
InChIInChI=1S/C15H13BrO/c1-17-15-11-9-13(16)8-10-14(15)12-6-4-2-3-5-7-12/h2-11H,1H3
InChIKeyYJSANSTWHFYVRW-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-bromo-7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene 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

(2E,4E,7Z)-2-bromo-7-ethenoxy-4-fluoro-6-methylidenenona-2,4,7-triene
CID 126633716
5-Bromo-4-methoxy-1,2-dimethylcyclohepta-1,3,5-triene
CID 134865189
4-Bromo-5-methoxy-1,2-dimethylcyclohepta-1,3,5-triene
CID 134865256
7-Cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene
CID 134982343
1-Bromo-2-methoxycyclohepta-1,3-diene
CID 22153816
1-Bromo-2-methoxy-3,5-dimethylbenzene-4-ide;yttrium
CID 58089075
2-Bromo-5-methoxy-1,3-dimethylbenzene-6-ide;yttrium
CID 60083196
3-Methoxy-2-methylcyclohepta-1,3,5-triene
CID 85566761
1-Methoxyheptalene
CID 87275858
(3Z,5E,6E,8Z)-8-(1-bromoethenoxy)-5-ethylidene-2-methyldeca-1,3,6,8-tetraene
CID 89320713
5-Methoxy-1-methylcyclohepta-1,2,4,6-tetraene
CID 89351881
(3E,5E)-5-bromo-4-methoxy-2,3-dimethylhepta-1,3,5-triene
CID 89583645

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene?
The IUPAC name of 4-bromo-7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene (CID 134982344) is 4-bromo-7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene.
What is the SMILES notation for 4-bromo-7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene?
The canonical SMILES for 4-bromo-7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene is COC1=CC=C(Br)C=CC1=C1C=CC=CC=C1.
What is the InChIKey of 4-bromo-7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene?
The InChIKey is YJSANSTWHFYVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO/c1-17-15-11-9-13(16)8-10-14(15)12-6-4-2-3-5-7-12/h2-11H,1H3.
What are the key properties of 4-bromo-7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene?
4-bromo-7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene has a molecular weight of 289.17 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene is sourced from PubChem (CID 134982344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).