(6-bromo-2-methoxy-3,5-dimethylhex-4-enyl)benzene

C15H21BrO — CID 71340439

IUPAC(6-bromo-2-methoxy-3,5-dimethylhex-4-enyl)benzene
SMILESCOC(Cc1ccccc1)C(C)C=C(C)CBr
InChIInChI=1S/C15H21BrO/c1-12(11-16)9-13(2)15(17-3)10-14-7-5-4-6-8-14/h4-9,13,15H,10-11H2,1-3H3
InChIKeyNBLKEFCHAAMJPB-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.22
Rot. Bonds6

About (6-bromo-2-methoxy-3,5-dimethylhex-4-enyl)benzene

(6-bromo-2-methoxy-3,5-dimethylhex-4-enyl)benzene (PubChem CID 71340439) has the molecular formula C15H21BrO and a molecular weight of 297.24 g/mol. Its IUPAC name is (6-bromo-2-methoxy-3,5-dimethylhex-4-enyl)benzene.

Molecular Properties

Compound Name(6-bromo-2-methoxy-3,5-dimethylhex-4-enyl)benzene
PubChem CID71340439
Molecular FormulaC15H21BrO
Molecular Weight297.24 g/mol
Exact Mass296.08
IUPAC Name(6-bromo-2-methoxy-3,5-dimethylhex-4-enyl)benzene
SMILESCOC(Cc1ccccc1)C(C)C=C(C)CBr
InChIInChI=1S/C15H21BrO/c1-12(11-16)9-13(2)15(17-3)10-14-7-5-4-6-8-14/h4-9,13,15H,10-11H2,1-3H3
InChIKeyNBLKEFCHAAMJPB-UHFFFAOYSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E,2S,3S)-6-diphenylphosphoryl-2-methoxy-3,5-dimethylhex-4-enyl]benzene
CID 102124094
[(E,2R)-5-bromo-2,4-dimethylpent-3-enyl]benzene
CID 11097089
2-[(E,4S,5S)-5-methoxy-2,4-dimethyl-6-phenylhex-2-enyl]sulfonyl-1,3-benzothiazole
CID 102124095
[(2S,3S,4E,6E)-7-ethyl-2-methoxy-3,5-dimethyltrideca-4,6-dienyl]benzene
CID 10736108
3-methoxy-4-phenylbutane-1,2-diol
CID 139743448
(E)-6-bromo-5-methyl-1-phenylhex-4-en-3-ol
CID 11701728
(2S,8S,9S)-3-acetamido-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid
CID 90738494
methyl (2S,8S,9S)-3-acetamido-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoate
CID 91307008
[(2S,3S)-2-methoxy-3-methylhex-4-ynyl]benzene
CID 10821998
[(2S,3S)-3-methoxy-2-methylbutyl]benzene
CID 166437023
(2R)-2-[[(2S,3S,4E,6E,8S,9S)-3-acetamido-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoyl]amino]propanoic acid
CID 10366183
tert-butyl (2R,3R)-2-[(1E,3E,5R,6R)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-3-methyl-4-oxoazetidine-1-carboxylate
CID 24971194

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-methoxy-3,5-dimethylhex-4-enyl)benzene?
The IUPAC name of (6-bromo-2-methoxy-3,5-dimethylhex-4-enyl)benzene (CID 71340439) is (6-bromo-2-methoxy-3,5-dimethylhex-4-enyl)benzene.
What is the SMILES notation for (6-bromo-2-methoxy-3,5-dimethylhex-4-enyl)benzene?
The canonical SMILES for (6-bromo-2-methoxy-3,5-dimethylhex-4-enyl)benzene is COC(Cc1ccccc1)C(C)C=C(C)CBr.
What is the InChIKey of (6-bromo-2-methoxy-3,5-dimethylhex-4-enyl)benzene?
The InChIKey is NBLKEFCHAAMJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO/c1-12(11-16)9-13(2)15(17-3)10-14-7-5-4-6-8-14/h4-9,13,15H,10-11H2,1-3H3.
What are the key properties of (6-bromo-2-methoxy-3,5-dimethylhex-4-enyl)benzene?
(6-bromo-2-methoxy-3,5-dimethylhex-4-enyl)benzene has a molecular weight of 297.24 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-methoxy-3,5-dimethylhex-4-enyl)benzene is sourced from PubChem (CID 71340439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).