(5-bromothiophen-3-yl)-(2,4,6-trimethylphenyl)methanol

C14H15BrOS — CID 114021555

IUPAC(5-bromothiophen-3-yl)-(2,4,6-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2csc(Br)c2)c(C)c1
InChIInChI=1S/C14H15BrOS/c1-8-4-9(2)13(10(3)5-8)14(16)11-6-12(15)17-7-11/h4-7,14,16H,1-3H3
InChIKeyZJGJFOCQAMYACA-UHFFFAOYSA-N
MW311.24 g/mol
LogP4.52
Rot. Bonds2

About (5-bromothiophen-3-yl)-(2,4,6-trimethylphenyl)methanol

(5-bromothiophen-3-yl)-(2,4,6-trimethylphenyl)methanol (PubChem CID 114021555) has the molecular formula C14H15BrOS and a molecular weight of 311.24 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(2,4,6-trimethylphenyl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(2,4,6-trimethylphenyl)methanol
PubChem CID114021555
Molecular FormulaC14H15BrOS
Molecular Weight311.24 g/mol
Exact Mass310.00
IUPAC Name(5-bromothiophen-3-yl)-(2,4,6-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2csc(Br)c2)c(C)c1
InChIInChI=1S/C14H15BrOS/c1-8-4-9(2)13(10(3)5-8)14(16)11-6-12(15)17-7-11/h4-7,14,16H,1-3H3
InChIKeyZJGJFOCQAMYACA-UHFFFAOYSA-N
XLogP4.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.24
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-methylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanol
CID 65099676
(3,5-dibromophenyl)-(2,4,6-trimethylphenyl)methanol
CID 107980714
1-(5-bromothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 105084146
(4-bromo-2,5-dimethylphenyl)-(5-bromothiophen-3-yl)methanol
CID 114021565
(5-bromo-4-methylthiophen-2-yl)-(5-bromothiophen-3-yl)methanol
CID 107964321
(5-bromothiophen-3-yl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 107964365
(5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanol
CID 107964214
1-(5-bromothiophen-3-yl)-2-methylpropan-1-ol
CID 105133536
(4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanol
CID 80535503
(3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879416
(5-bromothiophen-3-yl)-thiophen-2-ylmethanol
CID 105079878
1-(5-bromothiophen-3-yl)-N-ethyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 105120871

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(2,4,6-trimethylphenyl)methanol?
The IUPAC name of (5-bromothiophen-3-yl)-(2,4,6-trimethylphenyl)methanol (CID 114021555) is (5-bromothiophen-3-yl)-(2,4,6-trimethylphenyl)methanol.
What is the SMILES notation for (5-bromothiophen-3-yl)-(2,4,6-trimethylphenyl)methanol?
The canonical SMILES for (5-bromothiophen-3-yl)-(2,4,6-trimethylphenyl)methanol is Cc1cc(C)c(C(O)c2csc(Br)c2)c(C)c1.
What is the InChIKey of (5-bromothiophen-3-yl)-(2,4,6-trimethylphenyl)methanol?
The InChIKey is ZJGJFOCQAMYACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrOS/c1-8-4-9(2)13(10(3)5-8)14(16)11-6-12(15)17-7-11/h4-7,14,16H,1-3H3.
What are the key properties of (5-bromothiophen-3-yl)-(2,4,6-trimethylphenyl)methanol?
(5-bromothiophen-3-yl)-(2,4,6-trimethylphenyl)methanol has a molecular weight of 311.24 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(2,4,6-trimethylphenyl)methanol is sourced from PubChem (CID 114021555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).