(5-bromo-4-methylthiophen-2-yl)-(3-methylphenyl)methanol

C13H13BrOS — CID 79991362

IUPAC(5-bromo-4-methylthiophen-2-yl)-(3-methylphenyl)methanol
SMILESCc1cccc(C(O)c2cc(C)c(Br)s2)c1
InChIInChI=1S/C13H13BrOS/c1-8-4-3-5-10(6-8)12(15)11-7-9(2)13(14)16-11/h3-7,12,15H,1-2H3
InChIKeyHJVLQELJQMXQJG-UHFFFAOYSA-N
MW297.22 g/mol
LogP4.21
Rot. Bonds2

About (5-bromo-4-methylthiophen-2-yl)-(3-methylphenyl)methanol

(5-bromo-4-methylthiophen-2-yl)-(3-methylphenyl)methanol (PubChem CID 79991362) has the molecular formula C13H13BrOS and a molecular weight of 297.22 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(3-methylphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(3-methylphenyl)methanol
PubChem CID79991362
Molecular FormulaC13H13BrOS
Molecular Weight297.22 g/mol
Exact Mass295.99
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(3-methylphenyl)methanol
SMILESCc1cccc(C(O)c2cc(C)c(Br)s2)c1
InChIInChI=1S/C13H13BrOS/c1-8-4-3-5-10(6-8)12(15)11-7-9(2)13(14)16-11/h3-7,12,15H,1-2H3
InChIKeyHJVLQELJQMXQJG-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

(5-bromo-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol
CID 115839009
(5-bromo-4-methylthiophen-2-yl)-(3-propoxyphenyl)methanol
CID 79991363
(5-bromo-4-methylthiophen-2-yl)-(4-phenylphenyl)methanol
CID 79998991
1-(5-bromo-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanol
CID 79996774
(5-bromo-4-methylthiophen-2-yl)-(5-bromothiophen-3-yl)methanol
CID 107964321
(3-bromo-4-methylphenyl)-(3-methylphenyl)methanol
CID 114978122
(3-bromo-5-methylthiophen-2-yl)-(3-methylphenyl)methanol
CID 65278704
(5-bromo-4-methylthiophen-2-yl)-quinolin-3-ylmethanol
CID 114979842
5-[(5-bromo-4-methylthiophen-2-yl)-hydroxymethyl]-1,3-dimethylbenzimidazol-2-one
CID 79999176
(5-bromo-4-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanol
CID 79996997
(5-bromo-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol
CID 79996999
(5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanol
CID 115826296

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(3-methylphenyl)methanol?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(3-methylphenyl)methanol (CID 79991362) is (5-bromo-4-methylthiophen-2-yl)-(3-methylphenyl)methanol.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(3-methylphenyl)methanol?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(3-methylphenyl)methanol is Cc1cccc(C(O)c2cc(C)c(Br)s2)c1.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(3-methylphenyl)methanol?
The InChIKey is HJVLQELJQMXQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrOS/c1-8-4-3-5-10(6-8)12(15)11-7-9(2)13(14)16-11/h3-7,12,15H,1-2H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(3-methylphenyl)methanol?
(5-bromo-4-methylthiophen-2-yl)-(3-methylphenyl)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 (5-bromo-4-methylthiophen-2-yl)-(3-methylphenyl)methanol is sourced from PubChem (CID 79991362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).