1-(5-bromo-2-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol

C15H17BrO2S — CID 63990515

IUPAC1-(5-bromo-2-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol
SMILESCOc1ccc(Br)cc1CC(C)(O)c1sccc1C
InChIInChI=1S/C15H17BrO2S/c1-10-6-7-19-14(10)15(2,17)9-11-8-12(16)4-5-13(11)18-3/h4-8,17H,9H2,1-3H3
InChIKeyXNWUASWXEFHWTD-UHFFFAOYSA-N
MW341.27 g/mol
LogP4.28
Rot. Bonds4

About 1-(5-bromo-2-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol

1-(5-bromo-2-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol (PubChem CID 63990515) has the molecular formula C15H17BrO2S and a molecular weight of 341.27 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol
PubChem CID63990515
Molecular FormulaC15H17BrO2S
Molecular Weight341.27 g/mol
Exact Mass340.01
IUPAC Name1-(5-bromo-2-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol
SMILESCOc1ccc(Br)cc1CC(C)(O)c1sccc1C
InChIInChI=1S/C15H17BrO2S/c1-10-6-7-19-14(10)15(2,17)9-11-8-12(16)4-5-13(11)18-3/h4-8,17H,9H2,1-3H3
InChIKeyXNWUASWXEFHWTD-UHFFFAOYSA-N
XLogP4.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol
CID 65149465
4-bromo-2-(2-chloro-2-methylpropyl)-1-methoxybenzene
CID 4605776
2-(4-bromo-2-chlorophenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol
CID 82778672
2-(2,5-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62159640
3-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropan-1-amine
CID 112565229
1-(4-ethylphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol
CID 63990522
2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 62725313
3-(5-bromo-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol
CID 83151485
1-(5-bromo-2-methoxyphenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833364
2-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-3-oxobutanenitrile
CID 65393806
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylaniline
CID 63449111
2-[2,2-bis(bromomethyl)-3-methylbutyl]-4-bromo-1-methoxybenzene
CID 79455463

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol (CID 63990515) is 1-(5-bromo-2-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol is COc1ccc(Br)cc1CC(C)(O)c1sccc1C.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol?
The InChIKey is XNWUASWXEFHWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrO2S/c1-10-6-7-19-14(10)15(2,17)9-11-8-12(16)4-5-13(11)18-3/h4-8,17H,9H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol?
1-(5-bromo-2-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol has a molecular weight of 341.27 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol is sourced from PubChem (CID 63990515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).