5-bromo-2,7-dioxatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene

C10H7BrO2 — CID 14867663

IUPAC5-bromo-2,7-dioxatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene
SMILESBrC1COc2cccc3occ1c23
InChIInChI=1S/C10H7BrO2/c11-7-5-13-9-3-1-2-8-10(9)6(7)4-12-8/h1-4,7H,5H2
InChIKeyBVDPVTNIZJLVJB-UHFFFAOYSA-N
MW239.07 g/mol
LogP3.26
Rot. Bonds

About 5-bromo-2,7-dioxatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene

5-bromo-2,7-dioxatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene (PubChem CID 14867663) has the molecular formula C10H7BrO2 and a molecular weight of 239.07 g/mol. Its IUPAC name is 5-bromo-2,7-dioxatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene.

Molecular Properties

Compound Name5-bromo-2,7-dioxatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene
PubChem CID14867663
Molecular FormulaC10H7BrO2
Molecular Weight239.07 g/mol
Exact Mass237.96
IUPAC Name5-bromo-2,7-dioxatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene
SMILESBrC1COc2cccc3occ1c23
InChIInChI=1S/C10H7BrO2/c11-7-5-13-9-3-1-2-8-10(9)6(7)4-12-8/h1-4,7H,5H2
InChIKeyBVDPVTNIZJLVJB-UHFFFAOYSA-N
XLogP3.26
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-2,7-dioxatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene 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

3-(1-benzofuran-3-yl)-6-fluoro-3,4-dihydro-2H-1,4-benzoxazine
CID 116837686
(3R)-3-bromo-7-(trifluoromethyl)-2,3-dihydrochromen-4-one
CID 177204866
(3R)-2,3-dihydro-1-benzofuran-3-amine
CID 40787193
1-(4-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine
CID 117170265
3-bromo-2,3-dihydro-1-benzofuran-7-carboxylic acid
CID 151371339
(3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119030525
(7S)-7-methyl-16-propan-2-yloxy-6,9,15,17-tetraoxa-16-phosphatetracyclo[8.7.2.05,18.014,19]nonadeca-1(18),2,4,10,12,14(19)-hexaene
CID 11198781
6-tert-butyl-2,3-dihydro-1-benzofuran-3-amine
CID 55296444
3-aminochromen-4-one;3-amino-3,4-dihydro-2H-chromen-4-ol;3-bromo-2,3-dihydrochromen-4-one;2,3-dihydrochromen-4-one;hydrochloride
CID 158317398
3-[(4-oxo-2,3-dihydrochromen-3-yl)methyl]chromen-4-one
CID 15557594
(3S)-3-tert-butyl-2,3-dihydro-1-benzofuran
CID 129157836
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,7-dioxatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene?
The IUPAC name of 5-bromo-2,7-dioxatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene (CID 14867663) is 5-bromo-2,7-dioxatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene.
What is the SMILES notation for 5-bromo-2,7-dioxatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene?
The canonical SMILES for 5-bromo-2,7-dioxatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene is BrC1COc2cccc3occ1c23.
What is the InChIKey of 5-bromo-2,7-dioxatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene?
The InChIKey is BVDPVTNIZJLVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO2/c11-7-5-13-9-3-1-2-8-10(9)6(7)4-12-8/h1-4,7H,5H2.
What are the key properties of 5-bromo-2,7-dioxatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene?
5-bromo-2,7-dioxatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene has a molecular weight of 239.07 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,7-dioxatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene is sourced from PubChem (CID 14867663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).