(3-bromophenyl)-(5-methylthiophen-3-yl)methanol

C12H11BrOS — CID 65099273

IUPAC(3-bromophenyl)-(5-methylthiophen-3-yl)methanol
SMILESCc1cc(C(O)c2cccc(Br)c2)cs1
InChIInChI=1S/C12H11BrOS/c1-8-5-10(7-15-8)12(14)9-3-2-4-11(13)6-9/h2-7,12,14H,1H3
InChIKeyFNBZLYCAOHQQAW-UHFFFAOYSA-N
MW283.19 g/mol
LogP3.90
Rot. Bonds2

About (3-bromophenyl)-(5-methylthiophen-3-yl)methanol

(3-bromophenyl)-(5-methylthiophen-3-yl)methanol (PubChem CID 65099273) has the molecular formula C12H11BrOS and a molecular weight of 283.19 g/mol. Its IUPAC name is (3-bromophenyl)-(5-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(3-bromophenyl)-(5-methylthiophen-3-yl)methanol
PubChem CID65099273
Molecular FormulaC12H11BrOS
Molecular Weight283.19 g/mol
Exact Mass281.97
IUPAC Name(3-bromophenyl)-(5-methylthiophen-3-yl)methanol
SMILESCc1cc(C(O)c2cccc(Br)c2)cs1
InChIInChI=1S/C12H11BrOS/c1-8-5-10(7-15-8)12(14)9-3-2-4-11(13)6-9/h2-7,12,14H,1H3
InChIKeyFNBZLYCAOHQQAW-UHFFFAOYSA-N
XLogP3.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099789
(3-fluorophenyl)-(5-methylthiophen-3-yl)methanol
CID 65099498
(3,4-dimethylphenyl)-(5-methylthiophen-3-yl)methanol
CID 65100079
[(3-bromophenyl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105198129
(4-fluoro-3-methylphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099619
(4-chloro-3-methylphenyl)-(5-methylthiophen-3-yl)methanol
CID 115807784
(2-methyl-4-pyridinyl)-(5-methylthiophen-3-yl)methanol
CID 106756231
(4-bromo-2-methoxyphenyl)-(5-methylthiophen-3-yl)methanol
CID 115807569
(3-bromophenyl)-(3-methylsulfanylphenyl)methanol
CID 91657590
(3-bromophenyl)-(2-methylphenyl)methanol
CID 60798541
(3,5-dichlorophenyl)-(5-methylthiophen-3-yl)methanol
CID 65099738
(S)-(3-bromophenyl)-(3,5-difluorophenyl)methanol
CID 94601821

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(5-methylthiophen-3-yl)methanol?
The IUPAC name of (3-bromophenyl)-(5-methylthiophen-3-yl)methanol (CID 65099273) is (3-bromophenyl)-(5-methylthiophen-3-yl)methanol.
What is the SMILES notation for (3-bromophenyl)-(5-methylthiophen-3-yl)methanol?
The canonical SMILES for (3-bromophenyl)-(5-methylthiophen-3-yl)methanol is Cc1cc(C(O)c2cccc(Br)c2)cs1.
What is the InChIKey of (3-bromophenyl)-(5-methylthiophen-3-yl)methanol?
The InChIKey is FNBZLYCAOHQQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrOS/c1-8-5-10(7-15-8)12(14)9-3-2-4-11(13)6-9/h2-7,12,14H,1H3.
What are the key properties of (3-bromophenyl)-(5-methylthiophen-3-yl)methanol?
(3-bromophenyl)-(5-methylthiophen-3-yl)methanol has a molecular weight of 283.19 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(5-methylthiophen-3-yl)methanol is sourced from PubChem (CID 65099273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).