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

C15H11BrClFO2 — CID 104543168

IUPAC(4-bromo-2-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol
SMILESOC(c1ccc(Br)cc1F)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C15H11BrClFO2/c16-9-1-2-11(13(18)6-9)14(19)12-7-10(17)5-8-3-4-20-15(8)12/h1-2,5-7,14,19H,3-4H2
InChIKeyHPPQCQSSFMHEJB-UHFFFAOYSA-N
MW357.61 g/mol
LogP4.26
Rot. Bonds2

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

(4-bromo-2-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol (PubChem CID 104543168) has the molecular formula C15H11BrClFO2 and a molecular weight of 357.61 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol
PubChem CID104543168
Molecular FormulaC15H11BrClFO2
Molecular Weight357.61 g/mol
Exact Mass355.96
IUPAC Name(4-bromo-2-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol
SMILESOC(c1ccc(Br)cc1F)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C15H11BrClFO2/c16-9-1-2-11(13(18)6-9)14(19)12-7-10(17)5-8-3-4-20-15(8)12/h1-2,5-7,14,19H,3-4H2
InChIKeyHPPQCQSSFMHEJB-UHFFFAOYSA-N
XLogP4.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.61
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluoro-4-methylphenyl)methanol
CID 104543145
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluorophenyl)methanol
CID 104543259
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 104543117
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,6-difluorophenyl)methanol
CID 104543072
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5-chlorofuran-2-yl)methanol
CID 106688939
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dichlorophenyl)methanol
CID 104543049
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(4-ethoxy-2-fluorophenyl)methanol
CID 141414346
5-bromo-7-[bromo-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543561
7-[bromo-(2-chloro-4-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104543989
5-chloro-7-[chloro-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543764
7-[bromo-(2-bromo-6-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 114560746
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(5-bromo-2-methylphenyl)methanol
CID 104543001

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol?
The IUPAC name of (4-bromo-2-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol (CID 104543168) is (4-bromo-2-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol is OC(c1ccc(Br)cc1F)c1cc(Cl)cc2c1OCC2.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol?
The InChIKey is HPPQCQSSFMHEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO2/c16-9-1-2-11(13(18)6-9)14(19)12-7-10(17)5-8-3-4-20-15(8)12/h1-2,5-7,14,19H,3-4H2.
What are the key properties of (4-bromo-2-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol?
(4-bromo-2-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol has a molecular weight of 357.61 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol is sourced from PubChem (CID 104543168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).