4-[(4-bromophenyl)methyl]-3-hydroxycyclopent-2-en-1-one

C12H11BrO2 — CID 54757550

IUPAC4-[(4-bromophenyl)methyl]-3-hydroxycyclopent-2-en-1-one
SMILESO=C1C=C(O)C(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C12H11BrO2/c13-10-3-1-8(2-4-10)5-9-6-11(14)7-12(9)15/h1-4,7,9,15H,5-6H2
InChIKeyWCDPQRBQVGQVCZ-UHFFFAOYSA-N
MW267.12 g/mol
LogP3.02
Rot. Bonds2

About 4-[(4-bromophenyl)methyl]-3-hydroxycyclopent-2-en-1-one

4-[(4-bromophenyl)methyl]-3-hydroxycyclopent-2-en-1-one (PubChem CID 54757550) has the molecular formula C12H11BrO2 and a molecular weight of 267.12 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methyl]-3-hydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name4-[(4-bromophenyl)methyl]-3-hydroxycyclopent-2-en-1-one
PubChem CID54757550
Molecular FormulaC12H11BrO2
Molecular Weight267.12 g/mol
Exact Mass265.99
IUPAC Name4-[(4-bromophenyl)methyl]-3-hydroxycyclopent-2-en-1-one
SMILESO=C1C=C(O)C(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C12H11BrO2/c13-10-3-1-8(2-4-10)5-9-6-11(14)7-12(9)15/h1-4,7,9,15H,5-6H2
InChIKeyWCDPQRBQVGQVCZ-UHFFFAOYSA-N
XLogP3.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methyl]-3-hydroxycyclopent-2-en-1-one?
The IUPAC name of 4-[(4-bromophenyl)methyl]-3-hydroxycyclopent-2-en-1-one (CID 54757550) is 4-[(4-bromophenyl)methyl]-3-hydroxycyclopent-2-en-1-one.
What is the SMILES notation for 4-[(4-bromophenyl)methyl]-3-hydroxycyclopent-2-en-1-one?
The canonical SMILES for 4-[(4-bromophenyl)methyl]-3-hydroxycyclopent-2-en-1-one is O=C1C=C(O)C(Cc2ccc(Br)cc2)C1.
What is the InChIKey of 4-[(4-bromophenyl)methyl]-3-hydroxycyclopent-2-en-1-one?
The InChIKey is WCDPQRBQVGQVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO2/c13-10-3-1-8(2-4-10)5-9-6-11(14)7-12(9)15/h1-4,7,9,15H,5-6H2.
What are the key properties of 4-[(4-bromophenyl)methyl]-3-hydroxycyclopent-2-en-1-one?
4-[(4-bromophenyl)methyl]-3-hydroxycyclopent-2-en-1-one has a molecular weight of 267.12 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methyl]-3-hydroxycyclopent-2-en-1-one is sourced from PubChem (CID 54757550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).