2-(4-bromo-2,6-dimethylphenyl)-3-methoxycyclopent-2-en-1-one

C14H15BrO2 — CID 66868154

IUPAC2-(4-bromo-2,6-dimethylphenyl)-3-methoxycyclopent-2-en-1-one
SMILESCOC1=C(c2c(C)cc(Br)cc2C)C(=O)CC1
InChIInChI=1S/C14H15BrO2/c1-8-6-10(15)7-9(2)13(8)14-11(16)4-5-12(14)17-3/h6-7H,4-5H2,1-3H3
InChIKeyVHFAXZWQEFSXLY-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.79
Rot. Bonds2

About 2-(4-bromo-2,6-dimethylphenyl)-3-methoxycyclopent-2-en-1-one

2-(4-bromo-2,6-dimethylphenyl)-3-methoxycyclopent-2-en-1-one (PubChem CID 66868154) has the molecular formula C14H15BrO2 and a molecular weight of 295.18 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dimethylphenyl)-3-methoxycyclopent-2-en-1-one.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylphenyl)-3-methoxycyclopent-2-en-1-one
PubChem CID66868154
Molecular FormulaC14H15BrO2
Molecular Weight295.18 g/mol
Exact Mass294.03
IUPAC Name2-(4-bromo-2,6-dimethylphenyl)-3-methoxycyclopent-2-en-1-one
SMILESCOC1=C(c2c(C)cc(Br)cc2C)C(=O)CC1
InChIInChI=1S/C14H15BrO2/c1-8-6-10(15)7-9(2)13(8)14-11(16)4-5-12(14)17-3/h6-7H,4-5H2,1-3H3
InChIKeyVHFAXZWQEFSXLY-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylphenyl)-3-methoxycyclopent-2-en-1-one?
The IUPAC name of 2-(4-bromo-2,6-dimethylphenyl)-3-methoxycyclopent-2-en-1-one (CID 66868154) is 2-(4-bromo-2,6-dimethylphenyl)-3-methoxycyclopent-2-en-1-one.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylphenyl)-3-methoxycyclopent-2-en-1-one?
The canonical SMILES for 2-(4-bromo-2,6-dimethylphenyl)-3-methoxycyclopent-2-en-1-one is COC1=C(c2c(C)cc(Br)cc2C)C(=O)CC1.
What is the InChIKey of 2-(4-bromo-2,6-dimethylphenyl)-3-methoxycyclopent-2-en-1-one?
The InChIKey is VHFAXZWQEFSXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO2/c1-8-6-10(15)7-9(2)13(8)14-11(16)4-5-12(14)17-3/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-(4-bromo-2,6-dimethylphenyl)-3-methoxycyclopent-2-en-1-one?
2-(4-bromo-2,6-dimethylphenyl)-3-methoxycyclopent-2-en-1-one has a molecular weight of 295.18 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dimethylphenyl)-3-methoxycyclopent-2-en-1-one is sourced from PubChem (CID 66868154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).