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

C10H9BrO2S — CID 61081936

IUPAC(5-bromothiophen-2-yl)-(3-methylfuran-2-yl)methanol
SMILESCc1ccoc1C(O)c1ccc(Br)s1
InChIInChI=1S/C10H9BrO2S/c1-6-4-5-13-10(6)9(12)7-2-3-8(11)14-7/h2-5,9,12H,1H3
InChIKeyPHCSYSUOSBMNSN-UHFFFAOYSA-N
MW273.15 g/mol
LogP3.49
Rot. Bonds2

About (5-bromothiophen-2-yl)-(3-methylfuran-2-yl)methanol

(5-bromothiophen-2-yl)-(3-methylfuran-2-yl)methanol (PubChem CID 61081936) has the molecular formula C10H9BrO2S and a molecular weight of 273.15 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(3-methylfuran-2-yl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(3-methylfuran-2-yl)methanol
PubChem CID61081936
Molecular FormulaC10H9BrO2S
Molecular Weight273.15 g/mol
Exact Mass271.95
IUPAC Name(5-bromothiophen-2-yl)-(3-methylfuran-2-yl)methanol
SMILESCc1ccoc1C(O)c1ccc(Br)s1
InChIInChI=1S/C10H9BrO2S/c1-6-4-5-13-10(6)9(12)7-2-3-8(11)14-7/h2-5,9,12H,1H3
InChIKeyPHCSYSUOSBMNSN-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

(5-bromo-4-methylthiophen-2-yl)-(3-methylfuran-2-yl)methanol
CID 79991143
(4,5-dibromothiophen-2-yl)-(3-methylfuran-2-yl)methanol
CID 80535252
2-[(5-bromothiophen-2-yl)-hydroxymethyl]furan-3-carboxylic acid
CID 107432083
(5-bromothiophen-2-yl)-(4-methylthiophen-3-yl)methanol
CID 79808941
(5-bromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 65153269
(4-bromo-1,3-thiazol-2-yl)-(3-methylfuran-2-yl)methanol
CID 114684488
(5-bromothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methanol
CID 107512137
(5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484547
(3-methylfuran-2-yl)-(2,3,5,6-tetramethylphenyl)methanol
CID 61089048
(5-bromothiophen-2-yl)-(2-methylthiophen-3-yl)methanol
CID 102829132
(3-methylfuran-2-yl)-(2-methylthiophen-3-yl)methanol
CID 102829434
2-[chloro-(5-ethylthiophen-2-yl)methyl]-3-methylfuran
CID 61082558

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(3-methylfuran-2-yl)methanol?
The IUPAC name of (5-bromothiophen-2-yl)-(3-methylfuran-2-yl)methanol (CID 61081936) is (5-bromothiophen-2-yl)-(3-methylfuran-2-yl)methanol.
What is the SMILES notation for (5-bromothiophen-2-yl)-(3-methylfuran-2-yl)methanol?
The canonical SMILES for (5-bromothiophen-2-yl)-(3-methylfuran-2-yl)methanol is Cc1ccoc1C(O)c1ccc(Br)s1.
What is the InChIKey of (5-bromothiophen-2-yl)-(3-methylfuran-2-yl)methanol?
The InChIKey is PHCSYSUOSBMNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO2S/c1-6-4-5-13-10(6)9(12)7-2-3-8(11)14-7/h2-5,9,12H,1H3.
What are the key properties of (5-bromothiophen-2-yl)-(3-methylfuran-2-yl)methanol?
(5-bromothiophen-2-yl)-(3-methylfuran-2-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 (5-bromothiophen-2-yl)-(3-methylfuran-2-yl)methanol is sourced from PubChem (CID 61081936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).