(4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanol

C13H13BrOS — CID 79596472

IUPAC(4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanol
SMILESCc1ccc(C)c(C(O)c2cscc2Br)c1
InChIInChI=1S/C13H13BrOS/c1-8-3-4-9(2)10(5-8)13(15)11-6-16-7-12(11)14/h3-7,13,15H,1-2H3
InChIKeyVYOBTUZYRQLQJC-UHFFFAOYSA-N
MW297.22 g/mol
LogP4.21
Rot. Bonds2

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

(4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanol (PubChem CID 79596472) has the molecular formula C13H13BrOS and a molecular weight of 297.22 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanol
PubChem CID79596472
Molecular FormulaC13H13BrOS
Molecular Weight297.22 g/mol
Exact Mass295.99
IUPAC Name(4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanol
SMILESCc1ccc(C)c(C(O)c2cscc2Br)c1
InChIInChI=1S/C13H13BrOS/c1-8-3-4-9(2)10(5-8)13(15)11-6-16-7-12(11)14/h3-7,13,15H,1-2H3
InChIKeyVYOBTUZYRQLQJC-UHFFFAOYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dibromophenyl)-(2,5-dimethylphenyl)methanol
CID 114019435
1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol
CID 115820172
(2-bromo-3-methylphenyl)-(2,5-dimethylphenyl)methanol
CID 114023965
(4-bromothiophen-3-yl)-(2-chloro-3-methylphenyl)methanol
CID 115820165
(4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanol
CID 115820072
(4-bromothiophen-3-yl)-(2-methylfuran-3-yl)methanol
CID 104789594
1-(4-bromothiophen-3-yl)-2-(4-methylphenyl)ethanol
CID 79595189
(3-bromo-5-methylphenyl)-(2,5-dimethylphenyl)methanol
CID 113460971
(4-bromothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol
CID 115820132
1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 105010523
(3-bromophenyl)-(2,5-dimethylphenyl)methanol
CID 61089224
(4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanone
CID 115784127

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanol?
The IUPAC name of (4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanol (CID 79596472) is (4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanol.
What is the SMILES notation for (4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanol?
The canonical SMILES for (4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanol is Cc1ccc(C)c(C(O)c2cscc2Br)c1.
What is the InChIKey of (4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanol?
The InChIKey is VYOBTUZYRQLQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrOS/c1-8-3-4-9(2)10(5-8)13(15)11-6-16-7-12(11)14/h3-7,13,15H,1-2H3.
What are the key properties of (4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanol?
(4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanol has a molecular weight of 297.22 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanol is sourced from PubChem (CID 79596472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).