(2,5-dibromothiophen-3-yl)-(2-fluoro-3-methoxyphenyl)methanol

C12H9Br2FO2S — CID 114022284

IUPAC(2,5-dibromothiophen-3-yl)-(2-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2cc(Br)sc2Br)c1F
InChIInChI=1S/C12H9Br2FO2S/c1-17-8-4-2-3-6(10(8)15)11(16)7-5-9(13)18-12(7)14/h2-5,11,16H,1H3
InChIKeyYIFPNUAZQBIHSA-UHFFFAOYSA-N
MW396.08 g/mol
LogP4.50
Rot. Bonds3

About (2,5-dibromothiophen-3-yl)-(2-fluoro-3-methoxyphenyl)methanol

(2,5-dibromothiophen-3-yl)-(2-fluoro-3-methoxyphenyl)methanol (PubChem CID 114022284) has the molecular formula C12H9Br2FO2S and a molecular weight of 396.08 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-(2-fluoro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-(2-fluoro-3-methoxyphenyl)methanol
PubChem CID114022284
Molecular FormulaC12H9Br2FO2S
Molecular Weight396.08 g/mol
Exact Mass393.87
IUPAC Name(2,5-dibromothiophen-3-yl)-(2-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2cc(Br)sc2Br)c1F
InChIInChI=1S/C12H9Br2FO2S/c1-17-8-4-2-3-6(10(8)15)11(16)7-5-9(13)18-12(7)14/h2-5,11,16H,1H3
InChIKeyYIFPNUAZQBIHSA-UHFFFAOYSA-N
XLogP4.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.08
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82805632
(2-amino-5-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807801
(2-chloro-3-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 81461521
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
(2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807791
(2-amino-3-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 107469597
(2,5-dibromothiophen-3-yl)-(4-methoxy-2,5-dimethylphenyl)methanol
CID 107969859
(2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806744
(2,5-dibromothiophen-3-yl)-(2,5-dichloro-4-methoxyphenyl)methanol
CID 107964358
2,5-dibromo-3-[bromo-(5-fluoro-2-methoxyphenyl)methyl]thiophene
CID 107964679
(2-chloro-4-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807676
(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806466

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-(2-fluoro-3-methoxyphenyl)methanol?
The IUPAC name of (2,5-dibromothiophen-3-yl)-(2-fluoro-3-methoxyphenyl)methanol (CID 114022284) is (2,5-dibromothiophen-3-yl)-(2-fluoro-3-methoxyphenyl)methanol.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-(2-fluoro-3-methoxyphenyl)methanol?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-(2-fluoro-3-methoxyphenyl)methanol is COc1cccc(C(O)c2cc(Br)sc2Br)c1F.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-(2-fluoro-3-methoxyphenyl)methanol?
The InChIKey is YIFPNUAZQBIHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2FO2S/c1-17-8-4-2-3-6(10(8)15)11(16)7-5-9(13)18-12(7)14/h2-5,11,16H,1H3.
What are the key properties of (2,5-dibromothiophen-3-yl)-(2-fluoro-3-methoxyphenyl)methanol?
(2,5-dibromothiophen-3-yl)-(2-fluoro-3-methoxyphenyl)methanol has a molecular weight of 396.08 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromothiophen-3-yl)-(2-fluoro-3-methoxyphenyl)methanol is sourced from PubChem (CID 114022284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).