1-(5-bromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol

C14H15BrO2S — CID 105083533

IUPAC1-(5-bromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1CC(O)c1csc(Br)c1
InChIInChI=1S/C14H15BrO2S/c1-9-3-4-13(17-2)10(5-9)6-12(16)11-7-14(15)18-8-11/h3-5,7-8,12,16H,6H2,1-2H3
InChIKeyYDDZMPRUFOZVAM-UHFFFAOYSA-N
MW327.24 g/mol
LogP4.10
Rot. Bonds4

About 1-(5-bromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol

1-(5-bromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol (PubChem CID 105083533) has the molecular formula C14H15BrO2S and a molecular weight of 327.24 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol
PubChem CID105083533
Molecular FormulaC14H15BrO2S
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC Name1-(5-bromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1CC(O)c1csc(Br)c1
InChIInChI=1S/C14H15BrO2S/c1-9-3-4-13(17-2)10(5-9)6-12(16)11-7-14(15)18-8-11/h3-5,7-8,12,16H,6H2,1-2H3
InChIKeyYDDZMPRUFOZVAM-UHFFFAOYSA-N
XLogP4.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromo-2-methoxyphenyl)-1-(5-bromothiophen-3-yl)ethanol
CID 105081985
1-(3-bromo-5-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 107947332
1-(5-bromothiophen-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 105084452
2-(2-methoxy-5-methylphenyl)-1-(6-methyl-3-pyridinyl)ethanol
CID 104822975
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 65101453
1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63894596
1-(furan-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63895146
1-(4-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 62160340
1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 107947333
1-(5-bromothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 105084146
1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63895079

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol?
The IUPAC name of 1-(5-bromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol (CID 105083533) is 1-(5-bromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol is COc1ccc(C)cc1CC(O)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol?
The InChIKey is YDDZMPRUFOZVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO2S/c1-9-3-4-13(17-2)10(5-9)6-12(16)11-7-14(15)18-8-11/h3-5,7-8,12,16H,6H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol?
1-(5-bromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol has a molecular weight of 327.24 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol is sourced from PubChem (CID 105083533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).