1,3-dibromo-5-propan-2-yloxybenzene

C9H10Br2O — CID 50998234

IUPAC1,3-dibromo-5-propan-2-yloxybenzene
SMILESCC(C)Oc1cc(Br)cc(Br)c1
InChIInChI=1S/C9H10Br2O/c1-6(2)12-9-4-7(10)3-8(11)5-9/h3-6H,1-2H3
InChIKeyYEANGEKXRPNJTL-UHFFFAOYSA-N
MW293.99 g/mol
LogP4.00
Rot. Bonds2

About 1,3-dibromo-5-propan-2-yloxybenzene

1,3-dibromo-5-propan-2-yloxybenzene (PubChem CID 50998234) has the molecular formula C9H10Br2O and a molecular weight of 293.99 g/mol. Its IUPAC name is 1,3-dibromo-5-propan-2-yloxybenzene.

Molecular Properties

Compound Name1,3-dibromo-5-propan-2-yloxybenzene
PubChem CID50998234
Molecular FormulaC9H10Br2O
Molecular Weight293.99 g/mol
Exact Mass291.91
IUPAC Name1,3-dibromo-5-propan-2-yloxybenzene
SMILESCC(C)Oc1cc(Br)cc(Br)c1
InChIInChI=1S/C9H10Br2O/c1-6(2)12-9-4-7(10)3-8(11)5-9/h3-6H,1-2H3
InChIKeyYEANGEKXRPNJTL-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.99
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-ethenyl-5-propan-2-yloxybenzene
CID 156599987
N-(3-bromo-5-propan-2-yloxyphenyl)sulfanylmethanamine
CID 166983057
1,3-dibromo-5-(1-ethoxyethoxy)benzene
CID 134249105
dipotassium;2-bromopropane;3,5-dibromophenol;1,3-dibromo-5-propan-2-yloxybenzene;hydride;oxido formate
CID 158707537
3-bromo-1-hydroxy-5-propan-2-yloxypyridin-1-ium
CID 165373918
5-(3-bromo-5-propan-2-yloxyphenyl)-1,3-oxazole
CID 71239799
2-[(3-bromo-5-propan-2-yloxybenzoyl)-methylamino]propanoic acid
CID 119209283
N-(3-bromo-5-propan-2-yloxyphenyl)-2-(methylamino)acetamide
CID 119819617
3-bromo-5-propan-2-yloxypyridine;5-propan-2-yloxypyridin-3-amine
CID 158462322
2-[(3-bromo-5-propan-2-yloxybenzoyl)amino]butanoic acid
CID 119223842
3-bromo-5-hydroxybenzoic acid;methyl 3-bromo-5-propan-2-yloxybenzoate
CID 158388681
3-bromo-5-propan-2-yloxypyridin-1-ium-1-carboxylate
CID 156693438

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-5-propan-2-yloxybenzene?
The IUPAC name of 1,3-dibromo-5-propan-2-yloxybenzene (CID 50998234) is 1,3-dibromo-5-propan-2-yloxybenzene.
What is the SMILES notation for 1,3-dibromo-5-propan-2-yloxybenzene?
The canonical SMILES for 1,3-dibromo-5-propan-2-yloxybenzene is CC(C)Oc1cc(Br)cc(Br)c1.
What is the InChIKey of 1,3-dibromo-5-propan-2-yloxybenzene?
The InChIKey is YEANGEKXRPNJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2O/c1-6(2)12-9-4-7(10)3-8(11)5-9/h3-6H,1-2H3.
What are the key properties of 1,3-dibromo-5-propan-2-yloxybenzene?
1,3-dibromo-5-propan-2-yloxybenzene has a molecular weight of 293.99 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-5-propan-2-yloxybenzene is sourced from PubChem (CID 50998234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).