1-bromo-2-[2-(2-methylpropoxymethoxy)propan-2-yl]benzene

C14H21BrO2 — CID 86125924

IUPAC1-bromo-2-[2-(2-methylpropoxymethoxy)propan-2-yl]benzene
SMILESCC(C)COCOC(C)(C)c1ccccc1Br
InChIInChI=1S/C14H21BrO2/c1-11(2)9-16-10-17-14(3,4)12-7-5-6-8-13(12)15/h5-8,11H,9-10H2,1-4H3
InChIKeyRYTJTJAQSLTDHX-UHFFFAOYSA-N
MW301.22 g/mol
LogP4.33
Rot. Bonds6

About 1-bromo-2-[2-(2-methylpropoxymethoxy)propan-2-yl]benzene

1-bromo-2-[2-(2-methylpropoxymethoxy)propan-2-yl]benzene (PubChem CID 86125924) has the molecular formula C14H21BrO2 and a molecular weight of 301.22 g/mol. Its IUPAC name is 1-bromo-2-[2-(2-methylpropoxymethoxy)propan-2-yl]benzene.

Molecular Properties

Compound Name1-bromo-2-[2-(2-methylpropoxymethoxy)propan-2-yl]benzene
PubChem CID86125924
Molecular FormulaC14H21BrO2
Molecular Weight301.22 g/mol
Exact Mass300.07
IUPAC Name1-bromo-2-[2-(2-methylpropoxymethoxy)propan-2-yl]benzene
SMILESCC(C)COCOC(C)(C)c1ccccc1Br
InChIInChI=1S/C14H21BrO2/c1-11(2)9-16-10-17-14(3,4)12-7-5-6-8-13(12)15/h5-8,11H,9-10H2,1-4H3
InChIKeyRYTJTJAQSLTDHX-UHFFFAOYSA-N
XLogP4.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2-[1-bromo-2-(1-ethoxypropan-2-yloxy)propan-2-yl]benzene
CID 103490069
1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine
CID 22457316
[[2-(2-bromophenyl)-2-methylpropyl]amino] acetate
CID 174811671
2-(2-bromophenyl)-6-methylheptan-2-ol
CID 83157247
1-bromo-2-[1-bromo-2-(2-propan-2-yloxyethoxy)propan-2-yl]benzene
CID 114773077
2-(2-bromophenyl)-3-methylpentan-2-amine
CID 79444116
1-bromo-2-(2-methylpropoxysulfanyl)benzene
CID 141269552
1-bromo-2-[(2R)-2-(methoxymethoxy)-1-phenylpropan-2-yl]benzene
CID 129379479
benzene-1,2-diol;2-methyl-1-(2-methylpropoxy)propane
CID 175551749
2-(2-bromophenyl)-1-(ethylamino)propan-2-ol
CID 62773972
1-(2-methylpropoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 60898806
3-(2-bromophenyl)-3,4-dimethylpentanenitrile
CID 54075785

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[2-(2-methylpropoxymethoxy)propan-2-yl]benzene?
The IUPAC name of 1-bromo-2-[2-(2-methylpropoxymethoxy)propan-2-yl]benzene (CID 86125924) is 1-bromo-2-[2-(2-methylpropoxymethoxy)propan-2-yl]benzene.
What is the SMILES notation for 1-bromo-2-[2-(2-methylpropoxymethoxy)propan-2-yl]benzene?
The canonical SMILES for 1-bromo-2-[2-(2-methylpropoxymethoxy)propan-2-yl]benzene is CC(C)COCOC(C)(C)c1ccccc1Br.
What is the InChIKey of 1-bromo-2-[2-(2-methylpropoxymethoxy)propan-2-yl]benzene?
The InChIKey is RYTJTJAQSLTDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO2/c1-11(2)9-16-10-17-14(3,4)12-7-5-6-8-13(12)15/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 1-bromo-2-[2-(2-methylpropoxymethoxy)propan-2-yl]benzene?
1-bromo-2-[2-(2-methylpropoxymethoxy)propan-2-yl]benzene has a molecular weight of 301.22 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[2-(2-methylpropoxymethoxy)propan-2-yl]benzene is sourced from PubChem (CID 86125924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).