2-(4-bromo-5-methylhexyl)-1-methoxy-4-methylbenzene

C15H23BrO — CID 64509437

IUPAC2-(4-bromo-5-methylhexyl)-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1CCCC(Br)C(C)C
InChIInChI=1S/C15H23BrO/c1-11(2)14(16)7-5-6-13-10-12(3)8-9-15(13)17-4/h8-11,14H,5-7H2,1-4H3
InChIKeyNYKCSDIYHVDNLH-UHFFFAOYSA-N
MW299.25 g/mol
LogP4.75
Rot. Bonds6

About 2-(4-bromo-5-methylhexyl)-1-methoxy-4-methylbenzene

2-(4-bromo-5-methylhexyl)-1-methoxy-4-methylbenzene (PubChem CID 64509437) has the molecular formula C15H23BrO and a molecular weight of 299.25 g/mol. Its IUPAC name is 2-(4-bromo-5-methylhexyl)-1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name2-(4-bromo-5-methylhexyl)-1-methoxy-4-methylbenzene
PubChem CID64509437
Molecular FormulaC15H23BrO
Molecular Weight299.25 g/mol
Exact Mass298.09
IUPAC Name2-(4-bromo-5-methylhexyl)-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1CCCC(Br)C(C)C
InChIInChI=1S/C15H23BrO/c1-11(2)14(16)7-5-6-13-10-12(3)8-9-15(13)17-4/h8-11,14H,5-7H2,1-4H3
InChIKeyNYKCSDIYHVDNLH-UHFFFAOYSA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methoxy-5-methylphenyl)pentan-2-amine
CID 64505046
N-ethyl-5-(2-methoxy-5-methylphenyl)pentan-2-amine
CID 64504941
1-(2-methoxy-5-methylphenyl)-N,4-dimethylpentan-3-amine
CID 55041605
ethane;1-methoxy-4-methyl-2-(6-propan-2-yloxyhexyl)benzene
CID 143806705
1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene
CID 171593330
4-amino-1-(2-methoxy-5-methylphenyl)pentan-3-ol
CID 83933089
5-(2-methoxy-5-methylphenyl)-N,3-dimethylpentan-1-amine
CID 65303647
2-(3-bromo-2-ethylbutyl)-1-methoxy-4-methylbenzene
CID 63470462
4-(2-methoxy-5-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64666050
1-(4-bromo-5-methylhexyl)-2-methylbenzene
CID 64508318
2-(4-bromo-5-methylhexyl)-1,4-difluorobenzene
CID 64509441
(2-methoxy-5-methylphenyl)methyl-trimethylsilane
CID 141465677

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylhexyl)-1-methoxy-4-methylbenzene?
The IUPAC name of 2-(4-bromo-5-methylhexyl)-1-methoxy-4-methylbenzene (CID 64509437) is 2-(4-bromo-5-methylhexyl)-1-methoxy-4-methylbenzene.
What is the SMILES notation for 2-(4-bromo-5-methylhexyl)-1-methoxy-4-methylbenzene?
The canonical SMILES for 2-(4-bromo-5-methylhexyl)-1-methoxy-4-methylbenzene is COc1ccc(C)cc1CCCC(Br)C(C)C.
What is the InChIKey of 2-(4-bromo-5-methylhexyl)-1-methoxy-4-methylbenzene?
The InChIKey is NYKCSDIYHVDNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrO/c1-11(2)14(16)7-5-6-13-10-12(3)8-9-15(13)17-4/h8-11,14H,5-7H2,1-4H3.
What are the key properties of 2-(4-bromo-5-methylhexyl)-1-methoxy-4-methylbenzene?
2-(4-bromo-5-methylhexyl)-1-methoxy-4-methylbenzene has a molecular weight of 299.25 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylhexyl)-1-methoxy-4-methylbenzene is sourced from PubChem (CID 64509437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).