(4-bromothiophen-3-yl)-(2-methylfuran-3-yl)methanol

C10H9BrO2S — CID 104789594

IUPAC(4-bromothiophen-3-yl)-(2-methylfuran-3-yl)methanol
SMILESCc1occc1C(O)c1cscc1Br
InChIInChI=1S/C10H9BrO2S/c1-6-7(2-3-13-6)10(12)8-4-14-5-9(8)11/h2-5,10,12H,1H3
InChIKeyBYKZUTMGIHCMLE-UHFFFAOYSA-N
MW273.15 g/mol
LogP3.49
Rot. Bonds2

About (4-bromothiophen-3-yl)-(2-methylfuran-3-yl)methanol

(4-bromothiophen-3-yl)-(2-methylfuran-3-yl)methanol (PubChem CID 104789594) has the molecular formula C10H9BrO2S and a molecular weight of 273.15 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(2-methylfuran-3-yl)methanol.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(2-methylfuran-3-yl)methanol
PubChem CID104789594
Molecular FormulaC10H9BrO2S
Molecular Weight273.15 g/mol
Exact Mass271.95
IUPAC Name(4-bromothiophen-3-yl)-(2-methylfuran-3-yl)methanol
SMILESCc1occc1C(O)c1cscc1Br
InChIInChI=1S/C10H9BrO2S/c1-6-7(2-3-13-6)10(12)8-4-14-5-9(8)11/h2-5,10,12H,1H3
InChIKeyBYKZUTMGIHCMLE-UHFFFAOYSA-N
XLogP3.49
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanol
CID 79596472
(2-bromo-4,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanol
CID 61088712
(4-bromothiophen-3-yl)-(2-chloro-3-methylphenyl)methanol
CID 115820165
(4-bromothiophen-3-yl)-(3-methylfuran-2-yl)methanamine
CID 104804459
5-bromo-6-[hydroxy-(2-methylfuran-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one
CID 62352175
(4-bromothiophen-3-yl)-(2-chloro-3,4-dimethoxyphenyl)methanol
CID 79596576
(3-bromo-4-methoxyphenyl)-(2-methylfuran-3-yl)methanol
CID 61100656
(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methanol
CID 115484595
(4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanol
CID 115820072
(4-bromothiophen-3-yl)-[4-(dimethylamino)phenyl]methanol
CID 79595156
(2-methylfuran-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130906086
[(2-bromofuran-3-yl)-(4-bromothiophen-3-yl)methyl]hydrazine
CID 106860077

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(2-methylfuran-3-yl)methanol?
The IUPAC name of (4-bromothiophen-3-yl)-(2-methylfuran-3-yl)methanol (CID 104789594) is (4-bromothiophen-3-yl)-(2-methylfuran-3-yl)methanol.
What is the SMILES notation for (4-bromothiophen-3-yl)-(2-methylfuran-3-yl)methanol?
The canonical SMILES for (4-bromothiophen-3-yl)-(2-methylfuran-3-yl)methanol is Cc1occc1C(O)c1cscc1Br.
What is the InChIKey of (4-bromothiophen-3-yl)-(2-methylfuran-3-yl)methanol?
The InChIKey is BYKZUTMGIHCMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO2S/c1-6-7(2-3-13-6)10(12)8-4-14-5-9(8)11/h2-5,10,12H,1H3.
What are the key properties of (4-bromothiophen-3-yl)-(2-methylfuran-3-yl)methanol?
(4-bromothiophen-3-yl)-(2-methylfuran-3-yl)methanol has a molecular weight of 273.15 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(2-methylfuran-3-yl)methanol is sourced from PubChem (CID 104789594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).