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

C15H11BrF2O2 — CID 107538425

IUPAC(2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
SMILESOC(c1ccc(F)c(F)c1Br)c1cccc2c1OCC2
InChIInChI=1S/C15H11BrF2O2/c16-12-9(4-5-11(17)13(12)18)14(19)10-3-1-2-8-6-7-20-15(8)10/h1-5,14,19H,6-7H2
InChIKeyJPLDQQPCWGKGQM-UHFFFAOYSA-N
MW341.15 g/mol
LogP3.74
Rot. Bonds2

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

(2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol (PubChem CID 107538425) 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-7-yl)methanol.

Molecular Properties

Compound Name(2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
PubChem CID107538425
Molecular FormulaC15H11BrF2O2
Molecular Weight341.15 g/mol
Exact Mass339.99
IUPAC Name(2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
SMILESOC(c1ccc(F)c(F)c1Br)c1cccc2c1OCC2
InChIInChI=1S/C15H11BrF2O2/c16-12-9(4-5-11(17)13(12)18)14(19)10-3-1-2-8-6-7-20-15(8)10/h1-5,14,19H,6-7H2
InChIKeyJPLDQQPCWGKGQM-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

(2-bromo-3,4-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 107538517
2,3-dihydro-1-benzofuran-7-yl-(2-iodophenyl)methanol
CID 115838946
(2-bromo-3,4-difluorophenyl)-(2,3-difluorophenyl)methanol
CID 107538306
2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methoxyphenyl)methanol
CID 114744709
(2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 107538465
3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol
CID 114743309
(2-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 114743289
(3-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114743343
2,3-dihydro-1-benzofuran-7-yl(naphthalen-1-yl)methanol
CID 114743291
3,4-dihydro-2H-chromen-8-yl-(2-iodophenyl)methanol
CID 115837843
[2-(difluoromethoxy)phenyl]-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 114743255
(3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114743779

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol?
The IUPAC name of (2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol (CID 107538425) is (2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol.
What is the SMILES notation for (2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol?
The canonical SMILES for (2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol is OC(c1ccc(F)c(F)c1Br)c1cccc2c1OCC2.
What is the InChIKey of (2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol?
The InChIKey is JPLDQQPCWGKGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O2/c16-12-9(4-5-11(17)13(12)18)14(19)10-3-1-2-8-6-7-20-15(8)10/h1-5,14,19H,6-7H2.
What are the key properties of (2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol?
(2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-7-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-7-yl)methanol is sourced from PubChem (CID 107538425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).