3-bromo-2,5-di(propan-2-yl)-1-benzofuran

C14H17BrO — CID 59463798

IUPAC3-bromo-2,5-di(propan-2-yl)-1-benzofuran
SMILESCC(C)c1ccc2oc(C(C)C)c(Br)c2c1
InChIInChI=1S/C14H17BrO/c1-8(2)10-5-6-12-11(7-10)13(15)14(16-12)9(3)4/h5-9H,1-4H3
InChIKeyORCFTUDDIJVNED-UHFFFAOYSA-N
MW281.19 g/mol
LogP5.44
Rot. Bonds2

About 3-bromo-2,5-di(propan-2-yl)-1-benzofuran

3-bromo-2,5-di(propan-2-yl)-1-benzofuran (PubChem CID 59463798) has the molecular formula C14H17BrO and a molecular weight of 281.19 g/mol. Its IUPAC name is 3-bromo-2,5-di(propan-2-yl)-1-benzofuran.

Molecular Properties

Compound Name3-bromo-2,5-di(propan-2-yl)-1-benzofuran
PubChem CID59463798
Molecular FormulaC14H17BrO
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name3-bromo-2,5-di(propan-2-yl)-1-benzofuran
SMILESCC(C)c1ccc2oc(C(C)C)c(Br)c2c1
InChIInChI=1S/C14H17BrO/c1-8(2)10-5-6-12-11(7-10)13(15)14(16-12)9(3)4/h5-9H,1-4H3
InChIKeyORCFTUDDIJVNED-UHFFFAOYSA-N
XLogP5.44
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.19
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-2,5-di(propan-2-yl)-1-benzofuran
CID 154693825
6,16-di(propan-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 118149873
3-bromo-5-methoxy-2-(4-propan-2-ylphenyl)-1-benzofuran
CID 155702191
4-bromo-2-propan-2-yldibenzofuran
CID 166912960
4-oxo-6-propan-2-ylchromene-2-carboxylic acid
CID 57348583
9-bromo-2-propan-2-ylnaphtho[1,2-b][1]benzofuran
CID 154595903
2,5-di(propan-2-yl)-1-benzofuran
CID 59835786
2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran
CID 144612981
2-methyl-3-phenylsulfanyl-5-propan-2-yl-1-benzofuran
CID 91085598
potassium;hydride;3-methyl-5-propan-2-yl-1-benzofuran-2-sulfonic acid
CID 173019493
1-bromo-3,7-di(propan-2-yl)naphthalene
CID 172853176
N-[[3-(methoxymethyl)-5-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine
CID 114376622

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,5-di(propan-2-yl)-1-benzofuran?
The IUPAC name of 3-bromo-2,5-di(propan-2-yl)-1-benzofuran (CID 59463798) is 3-bromo-2,5-di(propan-2-yl)-1-benzofuran.
What is the SMILES notation for 3-bromo-2,5-di(propan-2-yl)-1-benzofuran?
The canonical SMILES for 3-bromo-2,5-di(propan-2-yl)-1-benzofuran is CC(C)c1ccc2oc(C(C)C)c(Br)c2c1.
What is the InChIKey of 3-bromo-2,5-di(propan-2-yl)-1-benzofuran?
The InChIKey is ORCFTUDDIJVNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO/c1-8(2)10-5-6-12-11(7-10)13(15)14(16-12)9(3)4/h5-9H,1-4H3.
What are the key properties of 3-bromo-2,5-di(propan-2-yl)-1-benzofuran?
3-bromo-2,5-di(propan-2-yl)-1-benzofuran has a molecular weight of 281.19 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,5-di(propan-2-yl)-1-benzofuran is sourced from PubChem (CID 59463798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).