2-bromo-1,3-di(propan-2-yloxy)benzene

C12H17BrO2 — CID 102493711

IUPAC2-bromo-1,3-di(propan-2-yloxy)benzene
SMILESCC(C)Oc1cccc(OC(C)C)c1Br
InChIInChI=1S/C12H17BrO2/c1-8(2)14-10-6-5-7-11(12(10)13)15-9(3)4/h5-9H,1-4H3
InChIKeyPQEBBXTVRWXCPH-UHFFFAOYSA-N
MW273.17 g/mol
LogP4.02
Rot. Bonds4

About 2-bromo-1,3-di(propan-2-yloxy)benzene

2-bromo-1,3-di(propan-2-yloxy)benzene (PubChem CID 102493711) has the molecular formula C12H17BrO2 and a molecular weight of 273.17 g/mol. Its IUPAC name is 2-bromo-1,3-di(propan-2-yloxy)benzene.

Molecular Properties

Compound Name2-bromo-1,3-di(propan-2-yloxy)benzene
PubChem CID102493711
Molecular FormulaC12H17BrO2
Molecular Weight273.17 g/mol
Exact Mass272.04
IUPAC Name2-bromo-1,3-di(propan-2-yloxy)benzene
SMILESCC(C)Oc1cccc(OC(C)C)c1Br
InChIInChI=1S/C12H17BrO2/c1-8(2)14-10-6-5-7-11(12(10)13)15-9(3)4/h5-9H,1-4H3
InChIKeyPQEBBXTVRWXCPH-UHFFFAOYSA-N
XLogP4.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-(chloromethyl)-3-propan-2-yloxybenzene
CID 126987688
CID 18764013
CID 18764013
[2,3-di(propan-2-yloxy)phenyl]phosphane
CID 21468187
2-(2-bromo-6-propan-2-yloxyphenyl)acetic acid
CID 83903987
1-bromo-4-propan-2-yloxynaphthalene
CID 15341859
2-chloro-3-propan-2-yloxyaniline
CID 67383327
2-propan-2-yloxyaniline;hydrochloride
CID 24779669
tris(2-propan-2-yloxyphenyl)borane
CID 5017314
1-chloro-2-propan-2-yloxybenzene;ethane
CID 143368114
3-bromo-4-propan-2-yloxyphthalic acid
CID 141027312
trifluoro-(2-propan-2-yloxyphenyl)boranuide
CID 63677239
4-propan-2-yloxy-1-benzofuran
CID 68788950

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-di(propan-2-yloxy)benzene?
The IUPAC name of 2-bromo-1,3-di(propan-2-yloxy)benzene (CID 102493711) is 2-bromo-1,3-di(propan-2-yloxy)benzene.
What is the SMILES notation for 2-bromo-1,3-di(propan-2-yloxy)benzene?
The canonical SMILES for 2-bromo-1,3-di(propan-2-yloxy)benzene is CC(C)Oc1cccc(OC(C)C)c1Br.
What is the InChIKey of 2-bromo-1,3-di(propan-2-yloxy)benzene?
The InChIKey is PQEBBXTVRWXCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO2/c1-8(2)14-10-6-5-7-11(12(10)13)15-9(3)4/h5-9H,1-4H3.
What are the key properties of 2-bromo-1,3-di(propan-2-yloxy)benzene?
2-bromo-1,3-di(propan-2-yloxy)benzene has a molecular weight of 273.17 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-di(propan-2-yloxy)benzene is sourced from PubChem (CID 102493711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).