(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxan-4-yl)methanol

C14H17BrO3 — CID 113425147

IUPAC(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxan-4-yl)methanol
SMILESOC(c1cc(Br)cc2c1OCC2)C1CCOCC1
InChIInChI=1S/C14H17BrO3/c15-11-7-10-3-6-18-14(10)12(8-11)13(16)9-1-4-17-5-2-9/h7-9,13,16H,1-6H2
InChIKeyOTBMDKARDMRVPY-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.84
Rot. Bonds2

About (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxan-4-yl)methanol

(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxan-4-yl)methanol (PubChem CID 113425147) has the molecular formula C14H17BrO3 and a molecular weight of 313.19 g/mol. Its IUPAC name is (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxan-4-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxan-4-yl)methanol
PubChem CID113425147
Molecular FormulaC14H17BrO3
Molecular Weight313.19 g/mol
Exact Mass312.04
IUPAC Name(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxan-4-yl)methanol
SMILESOC(c1cc(Br)cc2c1OCC2)C1CCOCC1
InChIInChI=1S/C14H17BrO3/c15-11-7-10-3-6-18-14(10)12(8-11)13(16)9-1-4-17-5-2-9/h7-9,13,16H,1-6H2
InChIKeyOTBMDKARDMRVPY-UHFFFAOYSA-N
XLogP2.84
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxan-4-yl)methanol 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

1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-cyclobutylethanol
CID 103165529
(1R)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol
CID 104545355
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dibromophenyl)methanol
CID 107980780
5-bromo-7-[bromo(cyclopentyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543668
(3,5-dibromophenyl)-(oxan-4-yl)methanol
CID 107978364
5-bromo-7-(1-bromo-2-cyclopropylethyl)-2,3-dihydro-1-benzofuran
CID 104543568
5-bromo-7-[chloro(cyclopentyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543463
5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran
CID 59446392
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(5-bromo-2-methylphenyl)methanol
CID 104543001
5-bromo-7-(1-bromo-2-cyclobutylethyl)-2,3-dihydro-1-benzofuran
CID 103166030
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-(oxan-2-yl)propan-1-ol
CID 104543058
5-bromo-7-(1-chloro-2-cyclopentylethyl)-2,3-dihydro-1-benzofuran
CID 104543397

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxan-4-yl)methanol?
The IUPAC name of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxan-4-yl)methanol (CID 113425147) is (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxan-4-yl)methanol.
What is the SMILES notation for (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxan-4-yl)methanol?
The canonical SMILES for (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxan-4-yl)methanol is OC(c1cc(Br)cc2c1OCC2)C1CCOCC1.
What is the InChIKey of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxan-4-yl)methanol?
The InChIKey is OTBMDKARDMRVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO3/c15-11-7-10-3-6-18-14(10)12(8-11)13(16)9-1-4-17-5-2-9/h7-9,13,16H,1-6H2.
What are the key properties of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxan-4-yl)methanol?
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxan-4-yl)methanol has a molecular weight of 313.19 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxan-4-yl)methanol is sourced from PubChem (CID 113425147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).