4-(1-bromo-2-methylpropyl)-1-methoxy-2-methylbenzene

C12H17BrO — CID 61097588

IUPAC4-(1-bromo-2-methylpropyl)-1-methoxy-2-methylbenzene
SMILESCOc1ccc(C(Br)C(C)C)cc1C
InChIInChI=1S/C12H17BrO/c1-8(2)12(13)10-5-6-11(14-4)9(3)7-10/h5-8,12H,1-4H3
InChIKeyWEEOXINKPXZIHH-UHFFFAOYSA-N
MW257.17 g/mol
LogP4.10
Rot. Bonds3

About 4-(1-bromo-2-methylpropyl)-1-methoxy-2-methylbenzene

4-(1-bromo-2-methylpropyl)-1-methoxy-2-methylbenzene (PubChem CID 61097588) has the molecular formula C12H17BrO and a molecular weight of 257.17 g/mol. Its IUPAC name is 4-(1-bromo-2-methylpropyl)-1-methoxy-2-methylbenzene.

Molecular Properties

Compound Name4-(1-bromo-2-methylpropyl)-1-methoxy-2-methylbenzene
PubChem CID61097588
Molecular FormulaC12H17BrO
Molecular Weight257.17 g/mol
Exact Mass256.05
IUPAC Name4-(1-bromo-2-methylpropyl)-1-methoxy-2-methylbenzene
SMILESCOc1ccc(C(Br)C(C)C)cc1C
InChIInChI=1S/C12H17BrO/c1-8(2)12(13)10-5-6-11(14-4)9(3)7-10/h5-8,12H,1-4H3
InChIKeyWEEOXINKPXZIHH-UHFFFAOYSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 54.10
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

4-(1-bromo-2-methylpropyl)-1,2-dimethylbenzene
CID 63436116
4-(1-chloroethyl)-1-methoxy-2-methylbenzene
CID 61084240
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine
CID 43379636
1-[bromo-(4-methoxy-3-methylphenyl)methyl]-3,5-difluorobenzene
CID 63442839
3-bromo-4-(4-methoxy-3-methylphenyl)pentan-2-one
CID 64719160
methyl 3-(4-methoxy-3-methylphenyl)-4-methylpentanoate
CID 112508803
(1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)propan-2-ol
CID 96622534
1-[bromo-(4-methoxy-3-methylphenyl)methyl]-2,3-dimethylbenzene
CID 63443103
1-bromo-4-[bromo-(4-methoxy-3-methylphenyl)methyl]-2-fluorobenzene
CID 63442700
[bromo-(4-methoxy-3-methylphenyl)methyl]cyclooctane
CID 65020989
4-[bromo-(3-chloro-4-fluorophenyl)methyl]-1-methoxy-2-methylbenzene
CID 82878606

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromo-2-methylpropyl)-1-methoxy-2-methylbenzene?
The IUPAC name of 4-(1-bromo-2-methylpropyl)-1-methoxy-2-methylbenzene (CID 61097588) is 4-(1-bromo-2-methylpropyl)-1-methoxy-2-methylbenzene.
What is the SMILES notation for 4-(1-bromo-2-methylpropyl)-1-methoxy-2-methylbenzene?
The canonical SMILES for 4-(1-bromo-2-methylpropyl)-1-methoxy-2-methylbenzene is COc1ccc(C(Br)C(C)C)cc1C.
What is the InChIKey of 4-(1-bromo-2-methylpropyl)-1-methoxy-2-methylbenzene?
The InChIKey is WEEOXINKPXZIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO/c1-8(2)12(13)10-5-6-11(14-4)9(3)7-10/h5-8,12H,1-4H3.
What are the key properties of 4-(1-bromo-2-methylpropyl)-1-methoxy-2-methylbenzene?
4-(1-bromo-2-methylpropyl)-1-methoxy-2-methylbenzene has a molecular weight of 257.17 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromo-2-methylpropyl)-1-methoxy-2-methylbenzene is sourced from PubChem (CID 61097588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).