2-(2,4-dibromo-6-methylphenyl)-3-methoxycyclopent-2-en-1-one

C13H12Br2O2 — CID 130362675

IUPAC2-(2,4-dibromo-6-methylphenyl)-3-methoxycyclopent-2-en-1-one
SMILESCOC1=C(c2c(C)cc(Br)cc2Br)C(=O)CC1
InChIInChI=1S/C13H12Br2O2/c1-7-5-8(14)6-9(15)12(7)13-10(16)3-4-11(13)17-2/h5-6H,3-4H2,1-2H3
InChIKeyMBZRTFVMJYIEPL-UHFFFAOYSA-N
MW360.05 g/mol
LogP4.24
Rot. Bonds2

About 2-(2,4-dibromo-6-methylphenyl)-3-methoxycyclopent-2-en-1-one

2-(2,4-dibromo-6-methylphenyl)-3-methoxycyclopent-2-en-1-one (PubChem CID 130362675) has the molecular formula C13H12Br2O2 and a molecular weight of 360.05 g/mol. Its IUPAC name is 2-(2,4-dibromo-6-methylphenyl)-3-methoxycyclopent-2-en-1-one.

Molecular Properties

Compound Name2-(2,4-dibromo-6-methylphenyl)-3-methoxycyclopent-2-en-1-one
PubChem CID130362675
Molecular FormulaC13H12Br2O2
Molecular Weight360.05 g/mol
Exact Mass357.92
IUPAC Name2-(2,4-dibromo-6-methylphenyl)-3-methoxycyclopent-2-en-1-one
SMILESCOC1=C(c2c(C)cc(Br)cc2Br)C(=O)CC1
InChIInChI=1S/C13H12Br2O2/c1-7-5-8(14)6-9(15)12(7)13-10(16)3-4-11(13)17-2/h5-6H,3-4H2,1-2H3
InChIKeyMBZRTFVMJYIEPL-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.05
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-dibromo-6-methylphenyl)-3-methoxycyclopent-2-en-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-(2-Acetyl-3,5-dibromophenyl)ethanone
CID 15089985
1-(5-Bromo-2-methylphenyl)-4-methoxybutan-1-one
CID 57429883
2-(5-Bromo-2-ethylphenyl)-3-hydroxycyclohex-2-en-1-one
CID 58061017
2-(5-Bromo-2-cyclopropylphenyl)-3-hydroxycyclopent-2-en-1-one
CID 58061460
2-(5-Bromo-2-ethylphenyl)-3-hydroxycyclopent-2-en-1-one
CID 58061472
Methyl 2-(3,5-dibromo-2-methylphenyl)acetate
CID 59156590
2-(4-Bromo-2,6-dimethylphenyl)-3-methoxy-cyclopent-2-enone
CID 66868154
2-(4-Bromo-2-ethylphenyl)-3-hydroxycyclopent-2-en-1-one
CID 70866550
5-[(4-Bromophenyl)methyl]-3-methoxy-2-methylcyclopent-2-en-1-one
CID 71142393
2-(4-Bromo-2,6-dimethylphenyl)-3-hydroxycyclopent-2-en-1-one
CID 89607129
3-(4-Bromo-2-methylphenyl)-4-methoxybicyclo[3.2.1]oct-3-en-2-one
CID 90239047
Ethane;methyl 2-(3,5-dibromo-2-methylphenyl)acetate
CID 90832540

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromo-6-methylphenyl)-3-methoxycyclopent-2-en-1-one?
The IUPAC name of 2-(2,4-dibromo-6-methylphenyl)-3-methoxycyclopent-2-en-1-one (CID 130362675) is 2-(2,4-dibromo-6-methylphenyl)-3-methoxycyclopent-2-en-1-one.
What is the SMILES notation for 2-(2,4-dibromo-6-methylphenyl)-3-methoxycyclopent-2-en-1-one?
The canonical SMILES for 2-(2,4-dibromo-6-methylphenyl)-3-methoxycyclopent-2-en-1-one is COC1=C(c2c(C)cc(Br)cc2Br)C(=O)CC1.
What is the InChIKey of 2-(2,4-dibromo-6-methylphenyl)-3-methoxycyclopent-2-en-1-one?
The InChIKey is MBZRTFVMJYIEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2O2/c1-7-5-8(14)6-9(15)12(7)13-10(16)3-4-11(13)17-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-(2,4-dibromo-6-methylphenyl)-3-methoxycyclopent-2-en-1-one?
2-(2,4-dibromo-6-methylphenyl)-3-methoxycyclopent-2-en-1-one has a molecular weight of 360.05 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromo-6-methylphenyl)-3-methoxycyclopent-2-en-1-one is sourced from PubChem (CID 130362675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).