2-(5-bromo-2-cyclopropylphenyl)-3-hydroxycyclopent-2-en-1-one

C14H13BrO2 — CID 58061460

IUPAC2-(5-bromo-2-cyclopropylphenyl)-3-hydroxycyclopent-2-en-1-one
SMILESO=C1CCC(O)=C1c1cc(Br)ccc1C1CC1
InChIInChI=1S/C14H13BrO2/c15-9-3-4-10(8-1-2-8)11(7-9)14-12(16)5-6-13(14)17/h3-4,7-8,16H,1-2,5-6H2
InChIKeyVDNAJZVJSAKGQP-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.96
Rot. Bonds2

About 2-(5-bromo-2-cyclopropylphenyl)-3-hydroxycyclopent-2-en-1-one

2-(5-bromo-2-cyclopropylphenyl)-3-hydroxycyclopent-2-en-1-one (PubChem CID 58061460) has the molecular formula C14H13BrO2 and a molecular weight of 293.16 g/mol. Its IUPAC name is 2-(5-bromo-2-cyclopropylphenyl)-3-hydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name2-(5-bromo-2-cyclopropylphenyl)-3-hydroxycyclopent-2-en-1-one
PubChem CID58061460
Molecular FormulaC14H13BrO2
Molecular Weight293.16 g/mol
Exact Mass292.01
IUPAC Name2-(5-bromo-2-cyclopropylphenyl)-3-hydroxycyclopent-2-en-1-one
SMILESO=C1CCC(O)=C1c1cc(Br)ccc1C1CC1
InChIInChI=1S/C14H13BrO2/c15-9-3-4-10(8-1-2-8)11(7-9)14-12(16)5-6-13(14)17/h3-4,7-8,16H,1-2,5-6H2
InChIKeyVDNAJZVJSAKGQP-UHFFFAOYSA-N
XLogP3.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-cyclopropylphenyl)-3-hydroxycyclopent-2-en-1-one?
The IUPAC name of 2-(5-bromo-2-cyclopropylphenyl)-3-hydroxycyclopent-2-en-1-one (CID 58061460) is 2-(5-bromo-2-cyclopropylphenyl)-3-hydroxycyclopent-2-en-1-one.
What is the SMILES notation for 2-(5-bromo-2-cyclopropylphenyl)-3-hydroxycyclopent-2-en-1-one?
The canonical SMILES for 2-(5-bromo-2-cyclopropylphenyl)-3-hydroxycyclopent-2-en-1-one is O=C1CCC(O)=C1c1cc(Br)ccc1C1CC1.
What is the InChIKey of 2-(5-bromo-2-cyclopropylphenyl)-3-hydroxycyclopent-2-en-1-one?
The InChIKey is VDNAJZVJSAKGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2/c15-9-3-4-10(8-1-2-8)11(7-9)14-12(16)5-6-13(14)17/h3-4,7-8,16H,1-2,5-6H2.
What are the key properties of 2-(5-bromo-2-cyclopropylphenyl)-3-hydroxycyclopent-2-en-1-one?
2-(5-bromo-2-cyclopropylphenyl)-3-hydroxycyclopent-2-en-1-one has a molecular weight of 293.16 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-cyclopropylphenyl)-3-hydroxycyclopent-2-en-1-one is sourced from PubChem (CID 58061460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).