(3-bromo-5-methylthiophen-2-yl)-(furan-2-yl)methanol

C10H9BrO2S — CID 65278798

IUPAC(3-bromo-5-methylthiophen-2-yl)-(furan-2-yl)methanol
SMILESCc1cc(Br)c(C(O)c2ccco2)s1
InChIInChI=1S/C10H9BrO2S/c1-6-5-7(11)10(14-6)9(12)8-3-2-4-13-8/h2-5,9,12H,1H3
InChIKeyNUVQJBABSNGFTO-UHFFFAOYSA-N
MW273.15 g/mol
LogP3.49
Rot. Bonds2

About (3-bromo-5-methylthiophen-2-yl)-(furan-2-yl)methanol

(3-bromo-5-methylthiophen-2-yl)-(furan-2-yl)methanol (PubChem CID 65278798) has the molecular formula C10H9BrO2S and a molecular weight of 273.15 g/mol. Its IUPAC name is (3-bromo-5-methylthiophen-2-yl)-(furan-2-yl)methanol.

Molecular Properties

Compound Name(3-bromo-5-methylthiophen-2-yl)-(furan-2-yl)methanol
PubChem CID65278798
Molecular FormulaC10H9BrO2S
Molecular Weight273.15 g/mol
Exact Mass271.95
IUPAC Name(3-bromo-5-methylthiophen-2-yl)-(furan-2-yl)methanol
SMILESCc1cc(Br)c(C(O)c2ccco2)s1
InChIInChI=1S/C10H9BrO2S/c1-6-5-7(11)10(14-6)9(12)8-3-2-4-13-8/h2-5,9,12H,1H3
InChIKeyNUVQJBABSNGFTO-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

2-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]furan
CID 65283596
(3-bromo-5-methylthiophen-2-yl)-(3-methylphenyl)methanol
CID 65278704
furan-2-yl-(4-methyl-1,3-thiazol-5-yl)methanol
CID 22101827
(2,5-dibromo-4-methylphenyl)-(furan-2-yl)methanol
CID 81473673
(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methanol
CID 65278280
(3-bromo-5-methylthiophen-2-yl)-naphthalen-1-ylmethanol
CID 65278588
(3-bromo-5-methylthiophen-2-yl)-(3-methylsulfonylphenyl)methanol
CID 65278954
1-(3-bromo-5-methylthiophen-2-yl)-2-phenylethanol
CID 65278587
(3-bromo-5-methylthiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanol
CID 65278800
furan-2-yl-(2,3,4,5,6-pentamethylphenyl)methanol
CID 61099242
(3-bromo-5-methylthiophen-2-yl)-(3-methoxy-4-methylphenyl)methanol
CID 65278221
(5-bromo-2-methoxy-4-methylphenyl)-(furan-2-yl)methanol
CID 65434718

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(furan-2-yl)methanol?
The IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(furan-2-yl)methanol (CID 65278798) is (3-bromo-5-methylthiophen-2-yl)-(furan-2-yl)methanol.
What is the SMILES notation for (3-bromo-5-methylthiophen-2-yl)-(furan-2-yl)methanol?
The canonical SMILES for (3-bromo-5-methylthiophen-2-yl)-(furan-2-yl)methanol is Cc1cc(Br)c(C(O)c2ccco2)s1.
What is the InChIKey of (3-bromo-5-methylthiophen-2-yl)-(furan-2-yl)methanol?
The InChIKey is NUVQJBABSNGFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO2S/c1-6-5-7(11)10(14-6)9(12)8-3-2-4-13-8/h2-5,9,12H,1H3.
What are the key properties of (3-bromo-5-methylthiophen-2-yl)-(furan-2-yl)methanol?
(3-bromo-5-methylthiophen-2-yl)-(furan-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 (3-bromo-5-methylthiophen-2-yl)-(furan-2-yl)methanol is sourced from PubChem (CID 65278798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).