2-(1-bromo-2-methylpropan-2-yl)-1-methoxy-4-propan-2-ylbenzene

C14H21BrO — CID 82094101

IUPAC2-(1-bromo-2-methylpropan-2-yl)-1-methoxy-4-propan-2-ylbenzene
SMILESCOc1ccc(C(C)C)cc1C(C)(C)CBr
InChIInChI=1S/C14H21BrO/c1-10(2)11-6-7-13(16-5)12(8-11)14(3,4)9-15/h6-8,10H,9H2,1-5H3
InChIKeyKVEBRRGSAWZDRU-UHFFFAOYSA-N
MW285.23 g/mol
LogP4.49
Rot. Bonds4

About 2-(1-bromo-2-methylpropan-2-yl)-1-methoxy-4-propan-2-ylbenzene

2-(1-bromo-2-methylpropan-2-yl)-1-methoxy-4-propan-2-ylbenzene (PubChem CID 82094101) has the molecular formula C14H21BrO and a molecular weight of 285.23 g/mol. Its IUPAC name is 2-(1-bromo-2-methylpropan-2-yl)-1-methoxy-4-propan-2-ylbenzene.

Molecular Properties

Compound Name2-(1-bromo-2-methylpropan-2-yl)-1-methoxy-4-propan-2-ylbenzene
PubChem CID82094101
Molecular FormulaC14H21BrO
Molecular Weight285.23 g/mol
Exact Mass284.08
IUPAC Name2-(1-bromo-2-methylpropan-2-yl)-1-methoxy-4-propan-2-ylbenzene
SMILESCOc1ccc(C(C)C)cc1C(C)(C)CBr
InChIInChI=1S/C14H21BrO/c1-10(2)11-6-7-13(16-5)12(8-11)14(3,4)9-15/h6-8,10H,9H2,1-5H3
InChIKeyKVEBRRGSAWZDRU-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 54.49
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

2-(2-methoxy-5-propan-2-ylphenyl)propane-1,2-diamine
CID 23198486
1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene
CID 22952870
N-[2-(2-methoxy-5-propan-2-ylphenyl)-2-methylpropyl]acetamide
CID 115191415
2-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-2-amine
CID 82291393
2-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117332377
2-hydroxy-2-(2-methoxy-5-propan-2-ylphenyl)propanoic acid
CID 82117037
N-(bromomethyl)-2-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropan-1-amine
CID 115262570
2-(2-methoxy-5-pentan-3-ylphenyl)-2-methylpropan-1-ol
CID 117379898
3-[5-(1-fluoroethyl)-2-methoxyphenyl]-3-methylbutanoic acid
CID 117389154
2-(2-methoxy-5-propan-2-ylphenyl)sulfanyl-2-methylpropan-1-amine
CID 116853494
2-iodo-1-methoxy-4-propan-2-ylbenzene
CID 90221993
2-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115131889

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-2-methylpropan-2-yl)-1-methoxy-4-propan-2-ylbenzene?
The IUPAC name of 2-(1-bromo-2-methylpropan-2-yl)-1-methoxy-4-propan-2-ylbenzene (CID 82094101) is 2-(1-bromo-2-methylpropan-2-yl)-1-methoxy-4-propan-2-ylbenzene.
What is the SMILES notation for 2-(1-bromo-2-methylpropan-2-yl)-1-methoxy-4-propan-2-ylbenzene?
The canonical SMILES for 2-(1-bromo-2-methylpropan-2-yl)-1-methoxy-4-propan-2-ylbenzene is COc1ccc(C(C)C)cc1C(C)(C)CBr.
What is the InChIKey of 2-(1-bromo-2-methylpropan-2-yl)-1-methoxy-4-propan-2-ylbenzene?
The InChIKey is KVEBRRGSAWZDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO/c1-10(2)11-6-7-13(16-5)12(8-11)14(3,4)9-15/h6-8,10H,9H2,1-5H3.
What are the key properties of 2-(1-bromo-2-methylpropan-2-yl)-1-methoxy-4-propan-2-ylbenzene?
2-(1-bromo-2-methylpropan-2-yl)-1-methoxy-4-propan-2-ylbenzene has a molecular weight of 285.23 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-2-methylpropan-2-yl)-1-methoxy-4-propan-2-ylbenzene is sourced from PubChem (CID 82094101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).