2-(4-bromo-3-hydroxyphenyl)cyclopentan-1-one

C11H11BrO2 — CID 130040747

IUPAC2-(4-bromo-3-hydroxyphenyl)cyclopentan-1-one
SMILESO=C1CCCC1c1ccc(Br)c(O)c1
InChIInChI=1S/C11H11BrO2/c12-9-5-4-7(6-11(9)14)8-2-1-3-10(8)13/h4-6,8,14H,1-3H2
InChIKeyLSDPXQVBTUMFRZ-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.99
Rot. Bonds1

About 2-(4-bromo-3-hydroxyphenyl)cyclopentan-1-one

2-(4-bromo-3-hydroxyphenyl)cyclopentan-1-one (PubChem CID 130040747) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is 2-(4-bromo-3-hydroxyphenyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(4-bromo-3-hydroxyphenyl)cyclopentan-1-one
PubChem CID130040747
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name2-(4-bromo-3-hydroxyphenyl)cyclopentan-1-one
SMILESO=C1CCCC1c1ccc(Br)c(O)c1
InChIInChI=1S/C11H11BrO2/c12-9-5-4-7(6-11(9)14)8-2-1-3-10(8)13/h4-6,8,14H,1-3H2
InChIKeyLSDPXQVBTUMFRZ-UHFFFAOYSA-N
XLogP2.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-hydroxyphenyl)cyclopentan-1-one?
The IUPAC name of 2-(4-bromo-3-hydroxyphenyl)cyclopentan-1-one (CID 130040747) is 2-(4-bromo-3-hydroxyphenyl)cyclopentan-1-one.
What is the SMILES notation for 2-(4-bromo-3-hydroxyphenyl)cyclopentan-1-one?
The canonical SMILES for 2-(4-bromo-3-hydroxyphenyl)cyclopentan-1-one is O=C1CCCC1c1ccc(Br)c(O)c1.
What is the InChIKey of 2-(4-bromo-3-hydroxyphenyl)cyclopentan-1-one?
The InChIKey is LSDPXQVBTUMFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO2/c12-9-5-4-7(6-11(9)14)8-2-1-3-10(8)13/h4-6,8,14H,1-3H2.
What are the key properties of 2-(4-bromo-3-hydroxyphenyl)cyclopentan-1-one?
2-(4-bromo-3-hydroxyphenyl)cyclopentan-1-one has a molecular weight of 255.11 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-hydroxyphenyl)cyclopentan-1-one is sourced from PubChem (CID 130040747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).