(5-bromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol

C12H13BrO2S — CID 65153269

IUPAC(5-bromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol
SMILESCc1oc(C)c(C(O)c2ccc(Br)s2)c1C
InChIInChI=1S/C12H13BrO2S/c1-6-7(2)15-8(3)11(6)12(14)9-4-5-10(13)16-9/h4-5,12,14H,1-3H3
InChIKeyBWOYLPYYWPVNNQ-UHFFFAOYSA-N
MW301.21 g/mol
LogP4.11
Rot. Bonds2

About (5-bromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol

(5-bromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol (PubChem CID 65153269) has the molecular formula C12H13BrO2S and a molecular weight of 301.21 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol
PubChem CID65153269
Molecular FormulaC12H13BrO2S
Molecular Weight301.21 g/mol
Exact Mass299.98
IUPAC Name(5-bromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol
SMILESCc1oc(C)c(C(O)c2ccc(Br)s2)c1C
InChIInChI=1S/C12H13BrO2S/c1-6-7(2)15-8(3)11(6)12(14)9-4-5-10(13)16-9/h4-5,12,14H,1-3H3
InChIKeyBWOYLPYYWPVNNQ-UHFFFAOYSA-N
XLogP4.11
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromothiophen-2-yl)-chloromethyl]-2,4,5-trimethylfuran
CID 65152479
thiophen-2-yl-(2,4,5-trimethylfuran-3-yl)methanol
CID 65153315
(5-bromothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol
CID 61081568
(5-bromothiophen-2-yl)-(3-methylfuran-2-yl)methanol
CID 61081936
(5-bromothiophen-2-yl)-(2-methylthiophen-3-yl)methanol
CID 102829132
(5-bromothiophen-2-yl)-(4-methylthiophen-3-yl)methanol
CID 79808941
(5-bromothiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61101677
(5-bromothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methanol
CID 107512137
(3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanol
CID 106941245
(5-bromothiophen-2-yl)-(3-fluoro-5-methylphenyl)methanol
CID 79691471
(5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484547
(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanol
CID 80535532

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol?
The IUPAC name of (5-bromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol (CID 65153269) is (5-bromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol.
What is the SMILES notation for (5-bromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol?
The canonical SMILES for (5-bromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol is Cc1oc(C)c(C(O)c2ccc(Br)s2)c1C.
What is the InChIKey of (5-bromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol?
The InChIKey is BWOYLPYYWPVNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO2S/c1-6-7(2)15-8(3)11(6)12(14)9-4-5-10(13)16-9/h4-5,12,14H,1-3H3.
What are the key properties of (5-bromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol?
(5-bromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol has a molecular weight of 301.21 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol is sourced from PubChem (CID 65153269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).