(4R)-4-(4-bromophenyl)-2-hydroxy-3-methylcyclopent-2-en-1-one

C12H11BrO2 — CID 139255362

IUPAC(4R)-4-(4-bromophenyl)-2-hydroxy-3-methylcyclopent-2-en-1-one
SMILESCC1=C(O)C(=O)C[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C12H11BrO2/c1-7-10(6-11(14)12(7)15)8-2-4-9(13)5-3-8/h2-5,10,15H,6H2,1H3/t10-/m0/s1
InChIKeyFSTINGWXPFDZSK-JTQLQIEISA-N
MW267.12 g/mol
LogP3.34
Rot. Bonds1

About (4R)-4-(4-bromophenyl)-2-hydroxy-3-methylcyclopent-2-en-1-one

(4R)-4-(4-bromophenyl)-2-hydroxy-3-methylcyclopent-2-en-1-one (PubChem CID 139255362) has the molecular formula C12H11BrO2 and a molecular weight of 267.12 g/mol. Its IUPAC name is (4R)-4-(4-bromophenyl)-2-hydroxy-3-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-(4-bromophenyl)-2-hydroxy-3-methylcyclopent-2-en-1-one
PubChem CID139255362
Molecular FormulaC12H11BrO2
Molecular Weight267.12 g/mol
Exact Mass265.99
IUPAC Name(4R)-4-(4-bromophenyl)-2-hydroxy-3-methylcyclopent-2-en-1-one
SMILESCC1=C(O)C(=O)C[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C12H11BrO2/c1-7-10(6-11(14)12(7)15)8-2-4-9(13)5-3-8/h2-5,10,15H,6H2,1H3/t10-/m0/s1
InChIKeyFSTINGWXPFDZSK-JTQLQIEISA-N
XLogP3.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Bromophenyl)propanoic acid
CID 521441
2-(4-Bromophenyl)butanoic acid
CID 57472
3-(4-Bromophenyl)-2-oxopropanoic acid
CID 598758
2-(4-Bromophenyl)cyclopropanecarboxylic acid
CID 301541
rac-(1R,2R)-2-(4-bromophenyl)cyclopropane-1-carboxylic acid
CID 12586658
4-(4-Bromophenyl)pentanoic acid
CID 362077
7-(4-Bromophenyl)-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acid
CID 44311171
2,2'-((4-Bromophenyl)methylene)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
CID 4392308
3-[(4-Bromophenyl)methyl]-2-hydroxycyclopent-2-en-1-one
CID 15294991
5-(4-Bromobenzyl)-3-hydroxycyclopent-2-enone
CID 54757550
4-[(4-Bromophenyl)methyl]-3-hydroxy-2-methylcyclopent-2-en-1-one
CID 54757551
2-[(4-Bromophenyl)methyl]-3-hydroxycyclopent-2-en-1-one
CID 54757552

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-bromophenyl)-2-hydroxy-3-methylcyclopent-2-en-1-one?
The IUPAC name of (4R)-4-(4-bromophenyl)-2-hydroxy-3-methylcyclopent-2-en-1-one (CID 139255362) is (4R)-4-(4-bromophenyl)-2-hydroxy-3-methylcyclopent-2-en-1-one.
What is the SMILES notation for (4R)-4-(4-bromophenyl)-2-hydroxy-3-methylcyclopent-2-en-1-one?
The canonical SMILES for (4R)-4-(4-bromophenyl)-2-hydroxy-3-methylcyclopent-2-en-1-one is CC1=C(O)C(=O)C[C@@H]1c1ccc(Br)cc1.
What is the InChIKey of (4R)-4-(4-bromophenyl)-2-hydroxy-3-methylcyclopent-2-en-1-one?
The InChIKey is FSTINGWXPFDZSK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H11BrO2/c1-7-10(6-11(14)12(7)15)8-2-4-9(13)5-3-8/h2-5,10,15H,6H2,1H3/t10-/m0/s1.
What are the key properties of (4R)-4-(4-bromophenyl)-2-hydroxy-3-methylcyclopent-2-en-1-one?
(4R)-4-(4-bromophenyl)-2-hydroxy-3-methylcyclopent-2-en-1-one has a molecular weight of 267.12 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-bromophenyl)-2-hydroxy-3-methylcyclopent-2-en-1-one is sourced from PubChem (CID 139255362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).