(2R)-2-[(1R)-1-(4-bromophenyl)prop-2-enyl]cyclohexan-1-one

C15H17BrO — CID 139116608

IUPAC(2R)-2-[(1R)-1-(4-bromophenyl)prop-2-enyl]cyclohexan-1-one
SMILESC=C[C@@H](c1ccc(Br)cc1)[C@H]1CCCCC1=O
InChIInChI=1S/C15H17BrO/c1-2-13(11-7-9-12(16)10-8-11)14-5-3-4-6-15(14)17/h2,7-10,13-14H,1,3-6H2/t13-,14+/m0/s1
InChIKeySTVJDVBSTKRXEB-UONOGXRCSA-N
MW293.20 g/mol
LogP4.48
Rot. Bonds3

About (2R)-2-[(1R)-1-(4-bromophenyl)prop-2-enyl]cyclohexan-1-one

(2R)-2-[(1R)-1-(4-bromophenyl)prop-2-enyl]cyclohexan-1-one (PubChem CID 139116608) has the molecular formula C15H17BrO and a molecular weight of 293.20 g/mol. Its IUPAC name is (2R)-2-[(1R)-1-(4-bromophenyl)prop-2-enyl]cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-[(1R)-1-(4-bromophenyl)prop-2-enyl]cyclohexan-1-one
PubChem CID139116608
Molecular FormulaC15H17BrO
Molecular Weight293.20 g/mol
Exact Mass292.05
IUPAC Name(2R)-2-[(1R)-1-(4-bromophenyl)prop-2-enyl]cyclohexan-1-one
SMILESC=C[C@@H](c1ccc(Br)cc1)[C@H]1CCCCC1=O
InChIInChI=1S/C15H17BrO/c1-2-13(11-7-9-12(16)10-8-11)14-5-3-4-6-15(14)17/h2,7-10,13-14H,1,3-6H2/t13-,14+/m0/s1
InChIKeySTVJDVBSTKRXEB-UONOGXRCSA-N
XLogP4.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 71483121
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2-(1-bromoethyl)cyclopentan-1-one
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(2S)-2-[(2R)-but-3-en-2-yl]cyclopentan-1-one
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2-(1-phenylprop-2-enyl)thiepan-3-one
CID 14200675
(2R)-2-[(S)-hydroxy-(4-methylphenyl)methyl]cyclododecan-1-one
CID 139176180
(2R)-2-[(R)-hydroxy(phenyl)methyl]cyclohexan-1-one
CID 7038954
(2R)-2-[(1S)-1-phenylethyl]cyclohexan-1-one
CID 134922507
2-(2-oxocyclohexyl)-2-phenylacetic acid
CID 13284199
(2S)-2-(dimethoxymethyl)cyclohexan-1-one
CID 92982538
(2R)-2-[(S)-hydroxy(phenyl)methyl]cycloheptan-1-one
CID 12754674
(2R)-2-[(S)-hydroxy-(4-nitrophenyl)methyl]cyclohexan-1-one
CID 11615750

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-1-(4-bromophenyl)prop-2-enyl]cyclohexan-1-one?
The IUPAC name of (2R)-2-[(1R)-1-(4-bromophenyl)prop-2-enyl]cyclohexan-1-one (CID 139116608) is (2R)-2-[(1R)-1-(4-bromophenyl)prop-2-enyl]cyclohexan-1-one.
What is the SMILES notation for (2R)-2-[(1R)-1-(4-bromophenyl)prop-2-enyl]cyclohexan-1-one?
The canonical SMILES for (2R)-2-[(1R)-1-(4-bromophenyl)prop-2-enyl]cyclohexan-1-one is C=C[C@@H](c1ccc(Br)cc1)[C@H]1CCCCC1=O.
What is the InChIKey of (2R)-2-[(1R)-1-(4-bromophenyl)prop-2-enyl]cyclohexan-1-one?
The InChIKey is STVJDVBSTKRXEB-UONOGXRCSA-N. The full InChI is InChI=1S/C15H17BrO/c1-2-13(11-7-9-12(16)10-8-11)14-5-3-4-6-15(14)17/h2,7-10,13-14H,1,3-6H2/t13-,14+/m0/s1.
What are the key properties of (2R)-2-[(1R)-1-(4-bromophenyl)prop-2-enyl]cyclohexan-1-one?
(2R)-2-[(1R)-1-(4-bromophenyl)prop-2-enyl]cyclohexan-1-one has a molecular weight of 293.20 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-1-(4-bromophenyl)prop-2-enyl]cyclohexan-1-one is sourced from PubChem (CID 139116608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).