1-bromo-5-(1-bromo-3,4,4-trimethylpentyl)-4-methoxy-2-methylbenzene

C16H24Br2O — CID 65434345

IUPAC1-bromo-5-(1-bromo-3,4,4-trimethylpentyl)-4-methoxy-2-methylbenzene
SMILESCOc1cc(C)c(Br)cc1C(Br)CC(C)C(C)(C)C
InChIInChI=1S/C16H24Br2O/c1-10-7-15(19-6)12(9-13(10)17)14(18)8-11(2)16(3,4)5/h7,9,11,14H,8H2,1-6H3
InChIKeyRIQLESJBUWQJQJ-UHFFFAOYSA-N
MW392.18 g/mol
LogP6.27
Rot. Bonds4

About 1-bromo-5-(1-bromo-3,4,4-trimethylpentyl)-4-methoxy-2-methylbenzene

1-bromo-5-(1-bromo-3,4,4-trimethylpentyl)-4-methoxy-2-methylbenzene (PubChem CID 65434345) has the molecular formula C16H24Br2O and a molecular weight of 392.18 g/mol. Its IUPAC name is 1-bromo-5-(1-bromo-3,4,4-trimethylpentyl)-4-methoxy-2-methylbenzene.

Molecular Properties

Compound Name1-bromo-5-(1-bromo-3,4,4-trimethylpentyl)-4-methoxy-2-methylbenzene
PubChem CID65434345
Molecular FormulaC16H24Br2O
Molecular Weight392.18 g/mol
Exact Mass390.02
IUPAC Name1-bromo-5-(1-bromo-3,4,4-trimethylpentyl)-4-methoxy-2-methylbenzene
SMILESCOc1cc(C)c(Br)cc1C(Br)CC(C)C(C)(C)C
InChIInChI=1S/C16H24Br2O/c1-10-7-15(19-6)12(9-13(10)17)14(18)8-11(2)16(3,4)5/h7,9,11,14H,8H2,1-6H3
InChIKeyRIQLESJBUWQJQJ-UHFFFAOYSA-N
XLogP6.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.18
LogP ≤ 56.27
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

1-(5-bromo-2-methoxy-4-methylphenyl)-3,4,4-trimethylpentan-1-amine
CID 65439926
1-bromo-2-(1-bromo-3,4,4-trimethylpentyl)-4,5-dimethoxybenzene
CID 63832973
4-bromo-2-(1-bromo-3,4,4-trimethylpentyl)-1-methoxybenzene
CID 63832446
1-bromo-5-(1-bromooctyl)-4-methoxy-2-methylbenzene
CID 65433776
1-bromo-5-(1-chloro-3,4,4-trimethylpentyl)-2-fluoro-4-methoxybenzene
CID 103396310
1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,2-trifluoroethanol
CID 65433362
1-bromo-5-[bromo-(2-bromophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65433576
1-bromo-5-(1-chloro-3,3,3-trifluoropropyl)-4-methoxy-2-methylbenzene
CID 65432991
1-bromo-5-[(4-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene
CID 65433369
1-(1-bromo-3,4,4-trimethylpentyl)-2-chloro-4-methoxybenzene
CID 55261294
1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpropan-1-one
CID 65439526
1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 65439545

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(1-bromo-3,4,4-trimethylpentyl)-4-methoxy-2-methylbenzene?
The IUPAC name of 1-bromo-5-(1-bromo-3,4,4-trimethylpentyl)-4-methoxy-2-methylbenzene (CID 65434345) is 1-bromo-5-(1-bromo-3,4,4-trimethylpentyl)-4-methoxy-2-methylbenzene.
What is the SMILES notation for 1-bromo-5-(1-bromo-3,4,4-trimethylpentyl)-4-methoxy-2-methylbenzene?
The canonical SMILES for 1-bromo-5-(1-bromo-3,4,4-trimethylpentyl)-4-methoxy-2-methylbenzene is COc1cc(C)c(Br)cc1C(Br)CC(C)C(C)(C)C.
What is the InChIKey of 1-bromo-5-(1-bromo-3,4,4-trimethylpentyl)-4-methoxy-2-methylbenzene?
The InChIKey is RIQLESJBUWQJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Br2O/c1-10-7-15(19-6)12(9-13(10)17)14(18)8-11(2)16(3,4)5/h7,9,11,14H,8H2,1-6H3.
What are the key properties of 1-bromo-5-(1-bromo-3,4,4-trimethylpentyl)-4-methoxy-2-methylbenzene?
1-bromo-5-(1-bromo-3,4,4-trimethylpentyl)-4-methoxy-2-methylbenzene has a molecular weight of 392.18 g/mol, XLogP of 6.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(1-bromo-3,4,4-trimethylpentyl)-4-methoxy-2-methylbenzene is sourced from PubChem (CID 65434345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).