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

C13H13BrO2S — CID 115807569

IUPAC(4-bromo-2-methoxyphenyl)-(5-methylthiophen-3-yl)methanol
SMILESCOc1cc(Br)ccc1C(O)c1csc(C)c1
InChIInChI=1S/C13H13BrO2S/c1-8-5-9(7-17-8)13(15)11-4-3-10(14)6-12(11)16-2/h3-7,13,15H,1-2H3
InChIKeyPFKUMRPNJLCVDA-UHFFFAOYSA-N
MW313.22 g/mol
LogP3.91
Rot. Bonds3

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

(4-bromo-2-methoxyphenyl)-(5-methylthiophen-3-yl)methanol (PubChem CID 115807569) has the molecular formula C13H13BrO2S and a molecular weight of 313.22 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-(5-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-(5-methylthiophen-3-yl)methanol
PubChem CID115807569
Molecular FormulaC13H13BrO2S
Molecular Weight313.22 g/mol
Exact Mass311.98
IUPAC Name(4-bromo-2-methoxyphenyl)-(5-methylthiophen-3-yl)methanol
SMILESCOc1cc(Br)ccc1C(O)c1csc(C)c1
InChIInChI=1S/C13H13BrO2S/c1-8-5-9(7-17-8)13(15)11-4-3-10(14)6-12(11)16-2/h3-7,13,15H,1-2H3
InChIKeyPFKUMRPNJLCVDA-UHFFFAOYSA-N
XLogP3.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol
CID 115369701
(4-bromo-2-methoxyphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823095
(4-bromo-2-methoxyphenyl)-thiophen-2-ylmethanol
CID 115369724
(4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol
CID 115369715
(4-bromo-2-methoxyphenyl)-(4-butan-2-ylphenyl)methanol
CID 115369721
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol
CID 115831252
(4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 115369706
(3-bromophenyl)-(5-methylthiophen-3-yl)methanol
CID 65099273
(4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 115369780
(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 115791553
(4-bromo-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794081
(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099686

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-(5-methylthiophen-3-yl)methanol?
The IUPAC name of (4-bromo-2-methoxyphenyl)-(5-methylthiophen-3-yl)methanol (CID 115807569) is (4-bromo-2-methoxyphenyl)-(5-methylthiophen-3-yl)methanol.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-(5-methylthiophen-3-yl)methanol?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-(5-methylthiophen-3-yl)methanol is COc1cc(Br)ccc1C(O)c1csc(C)c1.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-(5-methylthiophen-3-yl)methanol?
The InChIKey is PFKUMRPNJLCVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO2S/c1-8-5-9(7-17-8)13(15)11-4-3-10(14)6-12(11)16-2/h3-7,13,15H,1-2H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-(5-methylthiophen-3-yl)methanol?
(4-bromo-2-methoxyphenyl)-(5-methylthiophen-3-yl)methanol has a molecular weight of 313.22 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-(5-methylthiophen-3-yl)methanol is sourced from PubChem (CID 115807569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).