(3-bromo-5-methylthiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanol

C13H11BrF2O2S — CID 65278800

IUPAC(3-bromo-5-methylthiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanol
SMILESCc1cc(Br)c(C(O)c2ccccc2OC(F)F)s1
InChIInChI=1S/C13H11BrF2O2S/c1-7-6-9(14)12(19-7)11(17)8-4-2-3-5-10(8)18-13(15)16/h2-6,11,13,17H,1H3
InChIKeyUTAQGEKLEHXBKC-UHFFFAOYSA-N
MW349.20 g/mol
LogP4.50
Rot. Bonds4

About (3-bromo-5-methylthiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanol

(3-bromo-5-methylthiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanol (PubChem CID 65278800) has the molecular formula C13H11BrF2O2S and a molecular weight of 349.20 g/mol. Its IUPAC name is (3-bromo-5-methylthiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(3-bromo-5-methylthiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanol
PubChem CID65278800
Molecular FormulaC13H11BrF2O2S
Molecular Weight349.20 g/mol
Exact Mass347.96
IUPAC Name(3-bromo-5-methylthiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanol
SMILESCc1cc(Br)c(C(O)c2ccccc2OC(F)F)s1
InChIInChI=1S/C13H11BrF2O2S/c1-7-6-9(14)12(19-7)11(17)8-4-2-3-5-10(8)18-13(15)16/h2-6,11,13,17H,1H3
InChIKeyUTAQGEKLEHXBKC-UHFFFAOYSA-N
XLogP4.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-5-methylthiophen-2-yl)-[2-(difluoromethoxy)phenyl]methyl]ethanamine
CID 65279517
[2-(difluoromethoxy)phenyl]-(5-methylthiophen-2-yl)methanol
CID 61101714
(3-bromo-5-methylthiophen-2-yl)-naphthalen-1-ylmethanol
CID 65278588
[2-(difluoromethoxy)phenyl]-(3-methylphenyl)methanol
CID 63895753
[2-(difluoromethoxy)phenyl]-(2,3-dimethylphenyl)methanol
CID 63895942
[2-(difluoromethoxy)phenyl]-(2,5-dimethylthiophen-3-yl)methanamine
CID 43322455
3-[chloro-[2-(difluoromethoxy)phenyl]methyl]-2,5-dimethylthiophene
CID 55199092
[2-(difluoromethoxy)phenyl]-(2-methoxy-5-methylphenyl)methanol
CID 61081501
(3-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 113396535
2-[bromo-[2-(difluoromethoxy)phenyl]methyl]-5-methylthiophene
CID 63435734
(3-bromo-5-methylthiophen-2-yl)-(furan-2-yl)methanol
CID 65278798
(3-bromo-5-methylthiophen-2-yl)-(3-methylphenyl)methanol
CID 65278704

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylthiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanol?
The IUPAC name of (3-bromo-5-methylthiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanol (CID 65278800) is (3-bromo-5-methylthiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanol.
What is the SMILES notation for (3-bromo-5-methylthiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanol?
The canonical SMILES for (3-bromo-5-methylthiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanol is Cc1cc(Br)c(C(O)c2ccccc2OC(F)F)s1.
What is the InChIKey of (3-bromo-5-methylthiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanol?
The InChIKey is UTAQGEKLEHXBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2O2S/c1-7-6-9(14)12(19-7)11(17)8-4-2-3-5-10(8)18-13(15)16/h2-6,11,13,17H,1H3.
What are the key properties of (3-bromo-5-methylthiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanol?
(3-bromo-5-methylthiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanol has a molecular weight of 349.20 g/mol, XLogP of 4.50, 4 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)-[2-(difluoromethoxy)phenyl]methanol is sourced from PubChem (CID 65278800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).