2-(3-bromo-2-ethylbutyl)-1-methoxy-4-methylbenzene

C14H21BrO — CID 63470462

IUPAC2-(3-bromo-2-ethylbutyl)-1-methoxy-4-methylbenzene
SMILESCCC(Cc1cc(C)ccc1OC)C(C)Br
InChIInChI=1S/C14H21BrO/c1-5-12(11(3)15)9-13-8-10(2)6-7-14(13)16-4/h6-8,11-12H,5,9H2,1-4H3
InChIKeyVZDKKTXBMLFEJI-UHFFFAOYSA-N
MW285.23 g/mol
LogP4.36
Rot. Bonds5

About 2-(3-bromo-2-ethylbutyl)-1-methoxy-4-methylbenzene

2-(3-bromo-2-ethylbutyl)-1-methoxy-4-methylbenzene (PubChem CID 63470462) has the molecular formula C14H21BrO and a molecular weight of 285.23 g/mol. Its IUPAC name is 2-(3-bromo-2-ethylbutyl)-1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name2-(3-bromo-2-ethylbutyl)-1-methoxy-4-methylbenzene
PubChem CID63470462
Molecular FormulaC14H21BrO
Molecular Weight285.23 g/mol
Exact Mass284.08
IUPAC Name2-(3-bromo-2-ethylbutyl)-1-methoxy-4-methylbenzene
SMILESCCC(Cc1cc(C)ccc1OC)C(C)Br
InChIInChI=1S/C14H21BrO/c1-5-12(11(3)15)9-13-8-10(2)6-7-14(13)16-4/h6-8,11-12H,5,9H2,1-4H3
InChIKeyVZDKKTXBMLFEJI-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 54.36
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

3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-ol
CID 63895461
butane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene
CID 144898289
1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene
CID 171593330
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680
2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
CID 83933019
3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62529285
3-(2-methoxy-5-methylphenyl)-2-methylpropanal
CID 64666639
1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol
CID 62161527
1-butan-2-ylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 65136479
1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 79495090
1-(2-methoxy-5-methylphenyl)hexane-2,3-diol
CID 103454840
1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine
CID 55041467

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-ethylbutyl)-1-methoxy-4-methylbenzene?
The IUPAC name of 2-(3-bromo-2-ethylbutyl)-1-methoxy-4-methylbenzene (CID 63470462) is 2-(3-bromo-2-ethylbutyl)-1-methoxy-4-methylbenzene.
What is the SMILES notation for 2-(3-bromo-2-ethylbutyl)-1-methoxy-4-methylbenzene?
The canonical SMILES for 2-(3-bromo-2-ethylbutyl)-1-methoxy-4-methylbenzene is CCC(Cc1cc(C)ccc1OC)C(C)Br.
What is the InChIKey of 2-(3-bromo-2-ethylbutyl)-1-methoxy-4-methylbenzene?
The InChIKey is VZDKKTXBMLFEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO/c1-5-12(11(3)15)9-13-8-10(2)6-7-14(13)16-4/h6-8,11-12H,5,9H2,1-4H3.
What are the key properties of 2-(3-bromo-2-ethylbutyl)-1-methoxy-4-methylbenzene?
2-(3-bromo-2-ethylbutyl)-1-methoxy-4-methylbenzene has a molecular weight of 285.23 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-ethylbutyl)-1-methoxy-4-methylbenzene is sourced from PubChem (CID 63470462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).