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

C17H16BrFO3 — CID 141414346

IUPAC(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(4-ethoxy-2-fluorophenyl)methanol
SMILESCCOc1ccc(C(O)c2cc(Br)cc3c2OCC3)c(F)c1
InChIInChI=1S/C17H16BrFO3/c1-2-21-12-3-4-13(15(19)9-12)16(20)14-8-11(18)7-10-5-6-22-17(10)14/h3-4,7-9,16,20H,2,5-6H2,1H3
InChIKeyINAUBGDBWORCDD-UHFFFAOYSA-N
MW367.21 g/mol
LogP4.00
Rot. Bonds4

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

(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(4-ethoxy-2-fluorophenyl)methanol (PubChem CID 141414346) has the molecular formula C17H16BrFO3 and a molecular weight of 367.21 g/mol. Its IUPAC name is (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(4-ethoxy-2-fluorophenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(4-ethoxy-2-fluorophenyl)methanol
PubChem CID141414346
Molecular FormulaC17H16BrFO3
Molecular Weight367.21 g/mol
Exact Mass366.03
IUPAC Name(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(4-ethoxy-2-fluorophenyl)methanol
SMILESCCOc1ccc(C(O)c2cc(Br)cc3c2OCC3)c(F)c1
InChIInChI=1S/C17H16BrFO3/c1-2-21-12-3-4-13(15(19)9-12)16(20)14-8-11(18)7-10-5-6-22-17(10)14/h3-4,7-9,16,20H,2,5-6H2,1H3
InChIKeyINAUBGDBWORCDD-UHFFFAOYSA-N
XLogP4.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(4-ethoxy-2-fluorophenyl)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

(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-ethoxyphenyl)methanol
CID 104542962
(4-bromo-2-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol
CID 104543168
2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methoxyphenyl)methanol
CID 114744709
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(5-bromo-2-methylphenyl)methanol
CID 104543001
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylsulfanylphenyl)methanol
CID 104542861
(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)-(2-methylphenyl)methanol
CID 104542859
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dibromophenyl)methanol
CID 107980780
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(5-ethylfuran-2-yl)methanol
CID 104542868
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylfuran-3-yl)methanol
CID 104542917
ethyl 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-hydroxyacetate
CID 117484723
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluoro-4-methylphenyl)methanol
CID 104543145

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(4-ethoxy-2-fluorophenyl)methanol?
The IUPAC name of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(4-ethoxy-2-fluorophenyl)methanol (CID 141414346) is (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(4-ethoxy-2-fluorophenyl)methanol.
What is the SMILES notation for (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(4-ethoxy-2-fluorophenyl)methanol?
The canonical SMILES for (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(4-ethoxy-2-fluorophenyl)methanol is CCOc1ccc(C(O)c2cc(Br)cc3c2OCC3)c(F)c1.
What is the InChIKey of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(4-ethoxy-2-fluorophenyl)methanol?
The InChIKey is INAUBGDBWORCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFO3/c1-2-21-12-3-4-13(15(19)9-12)16(20)14-8-11(18)7-10-5-6-22-17(10)14/h3-4,7-9,16,20H,2,5-6H2,1H3.
What are the key properties of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(4-ethoxy-2-fluorophenyl)methanol?
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(4-ethoxy-2-fluorophenyl)methanol has a molecular weight of 367.21 g/mol, XLogP of 4.00, 4 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)-(4-ethoxy-2-fluorophenyl)methanol is sourced from PubChem (CID 141414346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).