(7-bromo-1-benzofuran-2-yl)-(3-bromo-2,6-difluorophenyl)methanol

C15H8Br2F2O2 — CID 106945078

IUPAC(7-bromo-1-benzofuran-2-yl)-(3-bromo-2,6-difluorophenyl)methanol
SMILESOC(c1cc2cccc(Br)c2o1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C15H8Br2F2O2/c16-8-4-5-10(18)12(13(8)19)14(20)11-6-7-2-1-3-9(17)15(7)21-11/h1-6,14,20H
InChIKeyGFCMZQFAAJBKHP-UHFFFAOYSA-N
MW418.03 g/mol
LogP5.32
Rot. Bonds2

About (7-bromo-1-benzofuran-2-yl)-(3-bromo-2,6-difluorophenyl)methanol

(7-bromo-1-benzofuran-2-yl)-(3-bromo-2,6-difluorophenyl)methanol (PubChem CID 106945078) has the molecular formula C15H8Br2F2O2 and a molecular weight of 418.03 g/mol. Its IUPAC name is (7-bromo-1-benzofuran-2-yl)-(3-bromo-2,6-difluorophenyl)methanol.

Molecular Properties

Compound Name(7-bromo-1-benzofuran-2-yl)-(3-bromo-2,6-difluorophenyl)methanol
PubChem CID106945078
Molecular FormulaC15H8Br2F2O2
Molecular Weight418.03 g/mol
Exact Mass415.89
IUPAC Name(7-bromo-1-benzofuran-2-yl)-(3-bromo-2,6-difluorophenyl)methanol
SMILESOC(c1cc2cccc(Br)c2o1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C15H8Br2F2O2/c16-8-4-5-10(18)12(13(8)19)14(20)11-6-7-2-1-3-9(17)15(7)21-11/h1-6,14,20H
InChIKeyGFCMZQFAAJBKHP-UHFFFAOYSA-N
XLogP5.32
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.03
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(7-bromo-1-benzofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106884122
1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanol
CID 114885782
(7-bromo-1-benzofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol
CID 105093821
(7-bromo-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105146562
(7-fluoro-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanol
CID 115836932
(2,4-dibromophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 107947837
(7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol
CID 105122296
1-(7-bromo-1-benzofuran-2-yl)prop-2-en-1-ol
CID 105108452
1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65438582
1-(7-bromo-1-benzofuran-2-yl)-2-(2,4-difluorophenyl)ethanol
CID 105083427
1-(7-bromo-1-benzofuran-2-yl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 105124079
1-(7-bromo-1-benzofuran-2-yl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894433

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzofuran-2-yl)-(3-bromo-2,6-difluorophenyl)methanol?
The IUPAC name of (7-bromo-1-benzofuran-2-yl)-(3-bromo-2,6-difluorophenyl)methanol (CID 106945078) is (7-bromo-1-benzofuran-2-yl)-(3-bromo-2,6-difluorophenyl)methanol.
What is the SMILES notation for (7-bromo-1-benzofuran-2-yl)-(3-bromo-2,6-difluorophenyl)methanol?
The canonical SMILES for (7-bromo-1-benzofuran-2-yl)-(3-bromo-2,6-difluorophenyl)methanol is OC(c1cc2cccc(Br)c2o1)c1c(F)ccc(Br)c1F.
What is the InChIKey of (7-bromo-1-benzofuran-2-yl)-(3-bromo-2,6-difluorophenyl)methanol?
The InChIKey is GFCMZQFAAJBKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Br2F2O2/c16-8-4-5-10(18)12(13(8)19)14(20)11-6-7-2-1-3-9(17)15(7)21-11/h1-6,14,20H.
What are the key properties of (7-bromo-1-benzofuran-2-yl)-(3-bromo-2,6-difluorophenyl)methanol?
(7-bromo-1-benzofuran-2-yl)-(3-bromo-2,6-difluorophenyl)methanol has a molecular weight of 418.03 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzofuran-2-yl)-(3-bromo-2,6-difluorophenyl)methanol is sourced from PubChem (CID 106945078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).