5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran-3-ol

C11H13BrO2 — CID 115403013

IUPAC5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran-3-ol
SMILESCC(C)c1cc(Br)cc2c1OCC2O
InChIInChI=1S/C11H13BrO2/c1-6(2)8-3-7(12)4-9-10(13)5-14-11(8)9/h3-4,6,10,13H,5H2,1-2H3
InChIKeyCTIYSLJEWMYALK-UHFFFAOYSA-N
MW257.13 g/mol
LogP3.00
Rot. Bonds1

About 5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran-3-ol

5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran-3-ol (PubChem CID 115403013) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran-3-ol.

Molecular Properties

Compound Name5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran-3-ol
PubChem CID115403013
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran-3-ol
SMILESCC(C)c1cc(Br)cc2c1OCC2O
InChIInChI=1S/C11H13BrO2/c1-6(2)8-3-7(12)4-9-10(13)5-14-11(8)9/h3-4,6,10,13H,5H2,1-2H3
InChIKeyCTIYSLJEWMYALK-UHFFFAOYSA-N
XLogP3.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-7-bromo-9-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 115403011
5-bromo-N-methoxy-7-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 115402549
5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran
CID 59446392
6-bromo-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine
CID 113302997
6-bromo-N-ethyl-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine
CID 115402563
5,7-dibromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 64719068
5,7-dibromo-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
CID 64719518
lithium [4-bromo-2,6-di(propan-2-yl)phenyl]azanide
CID 59171144
6-bromo-N-ethyl-8-fluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43537674
6-bromo-2,2-di(propan-2-yl)-3,4-dihydrochromen-4-ol
CID 112743534
[(3aR,8bR)-7-bromo-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran-5-yl]-ethoxymethanol
CID 18601291
(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)-cyclopropylmethanol
CID 115402974

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran-3-ol?
The IUPAC name of 5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran-3-ol (CID 115403013) is 5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran-3-ol.
What is the SMILES notation for 5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran-3-ol?
The canonical SMILES for 5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran-3-ol is CC(C)c1cc(Br)cc2c1OCC2O.
What is the InChIKey of 5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran-3-ol?
The InChIKey is CTIYSLJEWMYALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c1-6(2)8-3-7(12)4-9-10(13)5-14-11(8)9/h3-4,6,10,13H,5H2,1-2H3.
What are the key properties of 5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran-3-ol?
5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran-3-ol has a molecular weight of 257.13 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran-3-ol is sourced from PubChem (CID 115403013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).