5,7-dibromo-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one

C10H10Br2O4 — CID 10641823

IUPAC5,7-dibromo-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one
SMILESCOc1c(Br)cc(Br)c(=O)c(OC)c1OC
InChIInChI=1S/C10H10Br2O4/c1-14-8-6(12)4-5(11)7(13)9(15-2)10(8)16-3/h4H,1-3H3
InChIKeyZDEQZOHQKRUSRS-UHFFFAOYSA-N
MW353.99 g/mol
LogP2.60
Rot. Bonds3

About 5,7-dibromo-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one

5,7-dibromo-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one (PubChem CID 10641823) has the molecular formula C10H10Br2O4 and a molecular weight of 353.99 g/mol. Its IUPAC name is 5,7-dibromo-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name5,7-dibromo-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one
PubChem CID10641823
Molecular FormulaC10H10Br2O4
Molecular Weight353.99 g/mol
Exact Mass351.89
IUPAC Name5,7-dibromo-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one
SMILESCOc1c(Br)cc(Br)c(=O)c(OC)c1OC
InChIInChI=1S/C10H10Br2O4/c1-14-8-6(12)4-5(11)7(13)9(15-2)10(8)16-3/h4H,1-3H3
InChIKeyZDEQZOHQKRUSRS-UHFFFAOYSA-N
XLogP2.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.99
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,7-dibromo-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one 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

1,4-dibromo-2,3-dimethoxybenzene
CID 15784959
2,5-dibromo-4,7-dimethoxycyclohepta-2,4,6-trien-1-one
CID 14266950
1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)ethanone
CID 117473741
6-bromo-4,5-dimethoxyisoindole-1,3-dione
CID 154575039
1,5-dibromo-2,4-dimethoxy-3-pentoxybenzene
CID 91468170
1-(5-bromo-2,3,4-trimethoxyphenyl)-N-methylmethanamine
CID 96709380
5-bromo-3-methoxy-1,2-dimethylpyridin-4-one
CID 12511612
7-bromo-6-methoxybenzo[7]annulen-5-one
CID 121010887
1-(3-bromo-2,5,6-trimethoxyphenyl)ethanone
CID 117466723
1,2,3,4,5,6,7,8-octamethoxyanthracene
CID 174988413
3-(5-bromo-2,3,4-trimethoxyphenyl)propane-1-thiol
CID 83925670
2-(5-bromo-3,4-dimethoxy-2-methylphenyl)acetic acid
CID 117466771

Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one?
The IUPAC name of 5,7-dibromo-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one (CID 10641823) is 5,7-dibromo-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 5,7-dibromo-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 5,7-dibromo-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one is COc1c(Br)cc(Br)c(=O)c(OC)c1OC.
What is the InChIKey of 5,7-dibromo-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one?
The InChIKey is ZDEQZOHQKRUSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O4/c1-14-8-6(12)4-5(11)7(13)9(15-2)10(8)16-3/h4H,1-3H3.
What are the key properties of 5,7-dibromo-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one?
5,7-dibromo-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one has a molecular weight of 353.99 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 10641823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).