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

C15H11BrF2O2 — CID 107538465

IUPAC(2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESOC(c1ccc2c(c1)CCO2)c1ccc(F)c(F)c1Br
InChIInChI=1S/C15H11BrF2O2/c16-13-10(2-3-11(17)14(13)18)15(19)9-1-4-12-8(7-9)5-6-20-12/h1-4,7,15,19H,5-6H2
InChIKeyGTQJERYELUXXOI-UHFFFAOYSA-N
MW341.15 g/mol
LogP3.74
Rot. Bonds2

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

(2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol (PubChem CID 107538465) has the molecular formula C15H11BrF2O2 and a molecular weight of 341.15 g/mol. Its IUPAC name is (2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name(2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
PubChem CID107538465
Molecular FormulaC15H11BrF2O2
Molecular Weight341.15 g/mol
Exact Mass339.99
IUPAC Name(2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESOC(c1ccc2c(c1)CCO2)c1ccc(F)c(F)c1Br
InChIInChI=1S/C15H11BrF2O2/c16-13-10(2-3-11(17)14(13)18)15(19)9-1-4-12-8(7-9)5-6-20-12/h1-4,7,15,19H,5-6H2
InChIKeyGTQJERYELUXXOI-UHFFFAOYSA-N
XLogP3.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydro-2H-chromen-6-yl-(2,3,4-trifluorophenyl)methanol
CID 79756720
(5-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100761
(4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 106761361
(3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100595
(2-bromo-6-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 114560436
(2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 107538425
(3,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100429
(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 62199956
2,3-dihydro-1-benzofuran-5-yl-(3-fluoro-4-methoxyphenyl)methanol
CID 62198679
(2,4-dibromophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 107955593
2,3-dihydro-1,4-benzodioxin-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 105125287
(2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 107538576

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The IUPAC name of (2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol (CID 107538465) is (2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol.
What is the SMILES notation for (2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The canonical SMILES for (2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol is OC(c1ccc2c(c1)CCO2)c1ccc(F)c(F)c1Br.
What is the InChIKey of (2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The InChIKey is GTQJERYELUXXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O2/c16-13-10(2-3-11(17)14(13)18)15(19)9-1-4-12-8(7-9)5-6-20-12/h1-4,7,15,19H,5-6H2.
What are the key properties of (2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
(2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol has a molecular weight of 341.15 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol is sourced from PubChem (CID 107538465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).