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

C13H13BrO2S — CID 79808837

IUPAC(2-bromo-4-methoxyphenyl)-(4-methylthiophen-3-yl)methanol
SMILESCOc1ccc(C(O)c2cscc2C)c(Br)c1
InChIInChI=1S/C13H13BrO2S/c1-8-6-17-7-11(8)13(15)10-4-3-9(16-2)5-12(10)14/h3-7,13,15H,1-2H3
InChIKeyLYFMMIBPPQKQNT-UHFFFAOYSA-N
MW313.22 g/mol
LogP3.91
Rot. Bonds3

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

(2-bromo-4-methoxyphenyl)-(4-methylthiophen-3-yl)methanol (PubChem CID 79808837) has the molecular formula C13H13BrO2S and a molecular weight of 313.22 g/mol. Its IUPAC name is (2-bromo-4-methoxyphenyl)-(4-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(2-bromo-4-methoxyphenyl)-(4-methylthiophen-3-yl)methanol
PubChem CID79808837
Molecular FormulaC13H13BrO2S
Molecular Weight313.22 g/mol
Exact Mass311.98
IUPAC Name(2-bromo-4-methoxyphenyl)-(4-methylthiophen-3-yl)methanol
SMILESCOc1ccc(C(O)c2cscc2C)c(Br)c1
InChIInChI=1S/C13H13BrO2S/c1-8-6-17-7-11(8)13(15)10-4-3-9(16-2)5-12(10)14/h3-7,13,15H,1-2H3
InChIKeyLYFMMIBPPQKQNT-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

(4-bromo-2,5-dimethoxyphenyl)-(4-methylthiophen-3-yl)methanol
CID 105057003
(2,5-dibromo-4-methylphenyl)-(4-methylthiophen-3-yl)methanol
CID 81474094
(2-bromo-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 63048959
(5-bromo-2-chlorophenyl)-(2-bromo-4-methoxyphenyl)methanol
CID 61081523
3-[bromo-(6-methoxynaphthalen-2-yl)methyl]-4-methylthiophene
CID 79808743
2-amino-1-(2-bromo-4-methoxyphenyl)propan-1-ol
CID 82623845
(2-bromo-4-ethoxyphenyl)-(5-chloro-2-methylphenyl)methanol
CID 82890859
(5-bromo-2-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 65313436
(5-bromothiophen-2-yl)-(4-methylthiophen-3-yl)methanol
CID 79808941
(4-bromo-5-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanol
CID 102834978
(4-methoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81118539
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methoxyphenyl)-(4-methylthiophen-3-yl)methanol?
The IUPAC name of (2-bromo-4-methoxyphenyl)-(4-methylthiophen-3-yl)methanol (CID 79808837) is (2-bromo-4-methoxyphenyl)-(4-methylthiophen-3-yl)methanol.
What is the SMILES notation for (2-bromo-4-methoxyphenyl)-(4-methylthiophen-3-yl)methanol?
The canonical SMILES for (2-bromo-4-methoxyphenyl)-(4-methylthiophen-3-yl)methanol is COc1ccc(C(O)c2cscc2C)c(Br)c1.
What is the InChIKey of (2-bromo-4-methoxyphenyl)-(4-methylthiophen-3-yl)methanol?
The InChIKey is LYFMMIBPPQKQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO2S/c1-8-6-17-7-11(8)13(15)10-4-3-9(16-2)5-12(10)14/h3-7,13,15H,1-2H3.
What are the key properties of (2-bromo-4-methoxyphenyl)-(4-methylthiophen-3-yl)methanol?
(2-bromo-4-methoxyphenyl)-(4-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 (2-bromo-4-methoxyphenyl)-(4-methylthiophen-3-yl)methanol is sourced from PubChem (CID 79808837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).