(4,5-dibromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol

C13H11Br2FOS — CID 106879530

IUPAC(4,5-dibromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol
SMILESCc1cc(F)cc(C)c1C(O)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H11Br2FOS/c1-6-3-8(16)4-7(2)11(6)12(17)10-5-9(14)13(15)18-10/h3-5,12,17H,1-2H3
InChIKeyOAARLFKHKWJNHS-UHFFFAOYSA-N
MW394.10 g/mol
LogP5.11
Rot. Bonds2

About (4,5-dibromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol

(4,5-dibromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol (PubChem CID 106879530) has the molecular formula C13H11Br2FOS and a molecular weight of 394.10 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol
PubChem CID106879530
Molecular FormulaC13H11Br2FOS
Molecular Weight394.10 g/mol
Exact Mass391.89
IUPAC Name(4,5-dibromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol
SMILESCc1cc(F)cc(C)c1C(O)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H11Br2FOS/c1-6-3-8(16)4-7(2)11(6)12(17)10-5-9(14)13(15)18-10/h3-5,12,17H,1-2H3
InChIKeyOAARLFKHKWJNHS-UHFFFAOYSA-N
XLogP5.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.10
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanol
CID 80535503
(4,5-dimethylthiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879459
(4,5-dibromothiophen-2-yl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 80538693
(4,5-dibromothiophen-2-yl)-(5-fluoro-2-methylphenyl)methanol
CID 80535288
2-[(4,5-dibromothiophen-2-yl)-hydroxymethyl]-3,6-dimethylbenzoic acid
CID 103430671
(4,5-dibromothiophen-2-yl)-(3-methylfuran-2-yl)methanol
CID 80535252
(5-bromo-4-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanol
CID 79996997
(4,5-dibromothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 80532887
(4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanamine
CID 80533023
(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanol
CID 80535532
(4,5-dibromothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 115836012
(3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879416

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol (CID 106879530) is (4,5-dibromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol is Cc1cc(F)cc(C)c1C(O)c1cc(Br)c(Br)s1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol?
The InChIKey is OAARLFKHKWJNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2FOS/c1-6-3-8(16)4-7(2)11(6)12(17)10-5-9(14)13(15)18-10/h3-5,12,17H,1-2H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol?
(4,5-dibromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol has a molecular weight of 394.10 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol is sourced from PubChem (CID 106879530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).