(4,5-dibromofuran-2-yl)-(2-fluoro-5-methylphenyl)methanol

C12H9Br2FO2 — CID 63893868

IUPAC(4,5-dibromofuran-2-yl)-(2-fluoro-5-methylphenyl)methanol
SMILESCc1ccc(F)c(C(O)c2cc(Br)c(Br)o2)c1
InChIInChI=1S/C12H9Br2FO2/c1-6-2-3-9(15)7(4-6)11(16)10-5-8(13)12(14)17-10/h2-5,11,16H,1H3
InChIKeyWKTRRDRFNAONQQ-UHFFFAOYSA-N
MW364.01 g/mol
LogP4.33
Rot. Bonds2

About (4,5-dibromofuran-2-yl)-(2-fluoro-5-methylphenyl)methanol

(4,5-dibromofuran-2-yl)-(2-fluoro-5-methylphenyl)methanol (PubChem CID 63893868) has the molecular formula C12H9Br2FO2 and a molecular weight of 364.01 g/mol. Its IUPAC name is (4,5-dibromofuran-2-yl)-(2-fluoro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(4,5-dibromofuran-2-yl)-(2-fluoro-5-methylphenyl)methanol
PubChem CID63893868
Molecular FormulaC12H9Br2FO2
Molecular Weight364.01 g/mol
Exact Mass361.90
IUPAC Name(4,5-dibromofuran-2-yl)-(2-fluoro-5-methylphenyl)methanol
SMILESCc1ccc(F)c(C(O)c2cc(Br)c(Br)o2)c1
InChIInChI=1S/C12H9Br2FO2/c1-6-2-3-9(15)7(4-6)11(16)10-5-8(13)12(14)17-10/h2-5,11,16H,1H3
InChIKeyWKTRRDRFNAONQQ-UHFFFAOYSA-N
XLogP4.33
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.01
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4,5-dibromofuran-2-yl)-(2-fluoro-5-methylphenyl)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-fluorophenyl)-(2-bromo-5-methylphenyl)methanol
CID 115820779
(2-bromo-6-fluorophenyl)-(2-fluoro-5-methylphenyl)methanol
CID 114885762
(2-fluoro-5-methylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 62790310
(2-fluoro-5-methylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 62509973
(5-bromo-3-methyltriazol-4-yl)-(2-fluoro-5-methylphenyl)methanol
CID 106465474
(3-bromo-4-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 62511360
(2,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanol
CID 62510487
(2,3-difluoro-4-methylphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 107516130
(4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 63894639
(2-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 62509628
(2,3-difluorophenyl)-(2-fluoro-5-methylphenyl)methanol
CID 63894755
(7-bromo-1-benzothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanol
CID 81153432

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromofuran-2-yl)-(2-fluoro-5-methylphenyl)methanol?
The IUPAC name of (4,5-dibromofuran-2-yl)-(2-fluoro-5-methylphenyl)methanol (CID 63893868) is (4,5-dibromofuran-2-yl)-(2-fluoro-5-methylphenyl)methanol.
What is the SMILES notation for (4,5-dibromofuran-2-yl)-(2-fluoro-5-methylphenyl)methanol?
The canonical SMILES for (4,5-dibromofuran-2-yl)-(2-fluoro-5-methylphenyl)methanol is Cc1ccc(F)c(C(O)c2cc(Br)c(Br)o2)c1.
What is the InChIKey of (4,5-dibromofuran-2-yl)-(2-fluoro-5-methylphenyl)methanol?
The InChIKey is WKTRRDRFNAONQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2FO2/c1-6-2-3-9(15)7(4-6)11(16)10-5-8(13)12(14)17-10/h2-5,11,16H,1H3.
What are the key properties of (4,5-dibromofuran-2-yl)-(2-fluoro-5-methylphenyl)methanol?
(4,5-dibromofuran-2-yl)-(2-fluoro-5-methylphenyl)methanol has a molecular weight of 364.01 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromofuran-2-yl)-(2-fluoro-5-methylphenyl)methanol is sourced from PubChem (CID 63893868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).