2-(1-bromoethenyl)-2-phenylcyclohexan-1-one

C14H15BrO — CID 102390499

IUPAC2-(1-bromoethenyl)-2-phenylcyclohexan-1-one
SMILESC=C(Br)C1(c2ccccc2)CCCCC1=O
InChIInChI=1S/C14H15BrO/c1-11(15)14(10-6-5-9-13(14)16)12-7-3-2-4-8-12/h2-4,7-8H,1,5-6,9-10H2
InChIKeyCYHMWBYBJSUULN-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.98
Rot. Bonds2

About 2-(1-bromoethenyl)-2-phenylcyclohexan-1-one

2-(1-bromoethenyl)-2-phenylcyclohexan-1-one (PubChem CID 102390499) has the molecular formula C14H15BrO and a molecular weight of 279.18 g/mol. Its IUPAC name is 2-(1-bromoethenyl)-2-phenylcyclohexan-1-one.

Molecular Properties

Compound Name2-(1-bromoethenyl)-2-phenylcyclohexan-1-one
PubChem CID102390499
Molecular FormulaC14H15BrO
Molecular Weight279.18 g/mol
Exact Mass278.03
IUPAC Name2-(1-bromoethenyl)-2-phenylcyclohexan-1-one
SMILESC=C(Br)C1(c2ccccc2)CCCCC1=O
InChIInChI=1S/C14H15BrO/c1-11(15)14(10-6-5-9-13(14)16)12-7-3-2-4-8-12/h2-4,7-8H,1,5-6,9-10H2
InChIKeyCYHMWBYBJSUULN-UHFFFAOYSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(2S)-2-hydroxy-2-phenylcyclopentan-1-one
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CID 166169525
(2R)-2-(methylamino)-2-phenylcyclohexan-1-one
CID 94478337
2-bromo-2-[bromo(phenyl)methyl]cyclohexan-1-one
CID 15252359
2-(methylamino)-2-phenylcyclohexan-1-one;hydrochloride
CID 18705340
2-(4-chlorophenyl)-2-(1-phenylethenyl)cyclobutan-1-one
CID 134848353
(2S)-2-[hydroxy(phenyl)methyl]-2-methylcyclohexan-1-one
CID 101389868
2-(3-methylpiperidin-1-yl)-2-phenylcyclohexan-1-one
CID 156552583
2-oxo-3-phenylazepane-3-carboxamide
CID 14763630
ethyl 1-(4-methylphenyl)-2-oxocyclohexane-1-carboxylate
CID 11402717
(2R)-2-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenylcyclohexan-1-one
CID 102069160

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromoethenyl)-2-phenylcyclohexan-1-one?
The IUPAC name of 2-(1-bromoethenyl)-2-phenylcyclohexan-1-one (CID 102390499) is 2-(1-bromoethenyl)-2-phenylcyclohexan-1-one.
What is the SMILES notation for 2-(1-bromoethenyl)-2-phenylcyclohexan-1-one?
The canonical SMILES for 2-(1-bromoethenyl)-2-phenylcyclohexan-1-one is C=C(Br)C1(c2ccccc2)CCCCC1=O.
What is the InChIKey of 2-(1-bromoethenyl)-2-phenylcyclohexan-1-one?
The InChIKey is CYHMWBYBJSUULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO/c1-11(15)14(10-6-5-9-13(14)16)12-7-3-2-4-8-12/h2-4,7-8H,1,5-6,9-10H2.
What are the key properties of 2-(1-bromoethenyl)-2-phenylcyclohexan-1-one?
2-(1-bromoethenyl)-2-phenylcyclohexan-1-one has a molecular weight of 279.18 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromoethenyl)-2-phenylcyclohexan-1-one is sourced from PubChem (CID 102390499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).