3-[(3-bromophenyl)methoxy]cyclohexan-1-one

C13H15BrO2 — CID 82826289

IUPAC3-[(3-bromophenyl)methoxy]cyclohexan-1-one
SMILESO=C1CCCC(OCc2cccc(Br)c2)C1
InChIInChI=1S/C13H15BrO2/c14-11-4-1-3-10(7-11)9-16-13-6-2-5-12(15)8-13/h1,3-4,7,13H,2,5-6,8-9H2
InChIKeyVDLINRPGJQYFSG-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.48
Rot. Bonds3

About 3-[(3-bromophenyl)methoxy]cyclohexan-1-one

3-[(3-bromophenyl)methoxy]cyclohexan-1-one (PubChem CID 82826289) has the molecular formula C13H15BrO2 and a molecular weight of 283.16 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methoxy]cyclohexan-1-one.

Molecular Properties

Compound Name3-[(3-bromophenyl)methoxy]cyclohexan-1-one
PubChem CID82826289
Molecular FormulaC13H15BrO2
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name3-[(3-bromophenyl)methoxy]cyclohexan-1-one
SMILESO=C1CCCC(OCc2cccc(Br)c2)C1
InChIInChI=1S/C13H15BrO2/c14-11-4-1-3-10(7-11)9-16-13-6-2-5-12(15)8-13/h1,3-4,7,13H,2,5-6,8-9H2
InChIKeyVDLINRPGJQYFSG-UHFFFAOYSA-N
XLogP3.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methoxy]cyclohexan-1-one?
The IUPAC name of 3-[(3-bromophenyl)methoxy]cyclohexan-1-one (CID 82826289) is 3-[(3-bromophenyl)methoxy]cyclohexan-1-one.
What is the SMILES notation for 3-[(3-bromophenyl)methoxy]cyclohexan-1-one?
The canonical SMILES for 3-[(3-bromophenyl)methoxy]cyclohexan-1-one is O=C1CCCC(OCc2cccc(Br)c2)C1.
What is the InChIKey of 3-[(3-bromophenyl)methoxy]cyclohexan-1-one?
The InChIKey is VDLINRPGJQYFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO2/c14-11-4-1-3-10(7-11)9-16-13-6-2-5-12(15)8-13/h1,3-4,7,13H,2,5-6,8-9H2.
What are the key properties of 3-[(3-bromophenyl)methoxy]cyclohexan-1-one?
3-[(3-bromophenyl)methoxy]cyclohexan-1-one has a molecular weight of 283.16 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methoxy]cyclohexan-1-one is sourced from PubChem (CID 82826289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).