[2-bromo-4-(4-methylsulfanylthiophen-2-yl)phenyl]methanol

C12H11BrOS2 — CID 174580782

IUPAC[2-bromo-4-(4-methylsulfanylthiophen-2-yl)phenyl]methanol
SMILESCSc1csc(-c2ccc(CO)c(Br)c2)c1
InChIInChI=1S/C12H11BrOS2/c1-15-10-5-12(16-7-10)8-2-3-9(6-14)11(13)4-8/h2-5,7,14H,6H2,1H3
InChIKeyUTFIAKUDXJIYMF-UHFFFAOYSA-N
MW315.26 g/mol
LogP4.39
Rot. Bonds3

About [2-bromo-4-(4-methylsulfanylthiophen-2-yl)phenyl]methanol

[2-bromo-4-(4-methylsulfanylthiophen-2-yl)phenyl]methanol (PubChem CID 174580782) has the molecular formula C12H11BrOS2 and a molecular weight of 315.26 g/mol. Its IUPAC name is [2-bromo-4-(4-methylsulfanylthiophen-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-bromo-4-(4-methylsulfanylthiophen-2-yl)phenyl]methanol
PubChem CID174580782
Molecular FormulaC12H11BrOS2
Molecular Weight315.26 g/mol
Exact Mass313.94
IUPAC Name[2-bromo-4-(4-methylsulfanylthiophen-2-yl)phenyl]methanol
SMILESCSc1csc(-c2ccc(CO)c(Br)c2)c1
InChIInChI=1S/C12H11BrOS2/c1-15-10-5-12(16-7-10)8-2-3-9(6-14)11(13)4-8/h2-5,7,14H,6H2,1H3
InChIKeyUTFIAKUDXJIYMF-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2,4-bis(methylsulfanyl)phenyl]methanol
CID 54501035
[2-chloro-5-(4-methylthiophen-2-yl)phenyl]methanol
CID 172650124
3-[3-bromo-4-(hydroxymethyl)phenyl]propanenitrile
CID 130850533
3-(2-bromo-4-methylsulfanylphenyl)propan-1-ol
CID 154110714
3-bromo-4-(hydroxymethyl)phenol
CID 54447662
2-bromo-1-ethyl-4-methylsulfanylbenzene
CID 91880744
[2-bromo-4-(ethylaminosulfanyl)phenyl]methanol
CID 134514303
[4-(4-methylthiophen-2-yl)-2-(trifluoromethoxy)phenyl]methanol
CID 172650096
[2-methoxy-5-(4-methylthiophen-2-yl)phenyl]methanol
CID 172650126
[4-[3-bromo-4-(methoxymethyl)phenyl]phenyl]methanol
CID 172654460
5-[3-bromo-4-(hydroxymethyl)phenyl]-1,2-oxazol-3-one
CID 134432276
3-bromo-7-(bromomethyl)-5-methylsulfanyl-1-benzothiophene
CID 131146097

Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-(4-methylsulfanylthiophen-2-yl)phenyl]methanol?
The IUPAC name of [2-bromo-4-(4-methylsulfanylthiophen-2-yl)phenyl]methanol (CID 174580782) is [2-bromo-4-(4-methylsulfanylthiophen-2-yl)phenyl]methanol.
What is the SMILES notation for [2-bromo-4-(4-methylsulfanylthiophen-2-yl)phenyl]methanol?
The canonical SMILES for [2-bromo-4-(4-methylsulfanylthiophen-2-yl)phenyl]methanol is CSc1csc(-c2ccc(CO)c(Br)c2)c1.
What is the InChIKey of [2-bromo-4-(4-methylsulfanylthiophen-2-yl)phenyl]methanol?
The InChIKey is UTFIAKUDXJIYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrOS2/c1-15-10-5-12(16-7-10)8-2-3-9(6-14)11(13)4-8/h2-5,7,14H,6H2,1H3.
What are the key properties of [2-bromo-4-(4-methylsulfanylthiophen-2-yl)phenyl]methanol?
[2-bromo-4-(4-methylsulfanylthiophen-2-yl)phenyl]methanol has a molecular weight of 315.26 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-(4-methylsulfanylthiophen-2-yl)phenyl]methanol is sourced from PubChem (CID 174580782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).