1-(3-bromo-5-methylthiophen-2-yl)-2-phenylethanol

C13H13BrOS — CID 65278587

IUPAC1-(3-bromo-5-methylthiophen-2-yl)-2-phenylethanol
SMILESCc1cc(Br)c(C(O)Cc2ccccc2)s1
InChIInChI=1S/C13H13BrOS/c1-9-7-11(14)13(16-9)12(15)8-10-5-3-2-4-6-10/h2-7,12,15H,8H2,1H3
InChIKeyZRRYBSOVLCPQJX-UHFFFAOYSA-N
MW297.22 g/mol
LogP4.10
Rot. Bonds3

About 1-(3-bromo-5-methylthiophen-2-yl)-2-phenylethanol

1-(3-bromo-5-methylthiophen-2-yl)-2-phenylethanol (PubChem CID 65278587) has the molecular formula C13H13BrOS and a molecular weight of 297.22 g/mol. Its IUPAC name is 1-(3-bromo-5-methylthiophen-2-yl)-2-phenylethanol.

Molecular Properties

Compound Name1-(3-bromo-5-methylthiophen-2-yl)-2-phenylethanol
PubChem CID65278587
Molecular FormulaC13H13BrOS
Molecular Weight297.22 g/mol
Exact Mass295.99
IUPAC Name1-(3-bromo-5-methylthiophen-2-yl)-2-phenylethanol
SMILESCc1cc(Br)c(C(O)Cc2ccccc2)s1
InChIInChI=1S/C13H13BrOS/c1-9-7-11(14)13(16-9)12(15)8-10-5-3-2-4-6-10/h2-7,12,15H,8H2,1H3
InChIKeyZRRYBSOVLCPQJX-UHFFFAOYSA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-methylthiophen-2-yl)-2-(3-chlorophenyl)ethanol
CID 65278533
(3-bromo-5-methylthiophen-2-yl)-(3-methylphenyl)methanol
CID 65278704
(3-bromo-5-methylthiophen-2-yl)-naphthalen-1-ylmethanol
CID 65278588
1-(4-bromo-3-methylphenyl)-2-phenylethanol
CID 81447483
3-bromo-2-[bromo-(1-phenylcyclopropyl)methyl]-5-methylthiophene
CID 65283245
N-[1-(3-bromo-5-methylthiophen-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 65278683
1-(5-methylthiophen-3-yl)-2-phenylethanol
CID 65100081
(3-bromo-5-methylthiophen-2-yl)-(furan-2-yl)methanol
CID 65278798
1-(3-bromo-5-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-amine
CID 65279659
3-bromo-2-(1-bromo-3-methyl-2-phenylpentyl)-5-methylthiophene
CID 65278191
1-(3-bromo-5-methylthiophen-2-yl)-2-methylpentan-1-ol
CID 65278749
1-(4-bromothiophen-3-yl)-2-phenylethanol
CID 79596144

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-2-phenylethanol?
The IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-2-phenylethanol (CID 65278587) is 1-(3-bromo-5-methylthiophen-2-yl)-2-phenylethanol.
What is the SMILES notation for 1-(3-bromo-5-methylthiophen-2-yl)-2-phenylethanol?
The canonical SMILES for 1-(3-bromo-5-methylthiophen-2-yl)-2-phenylethanol is Cc1cc(Br)c(C(O)Cc2ccccc2)s1.
What is the InChIKey of 1-(3-bromo-5-methylthiophen-2-yl)-2-phenylethanol?
The InChIKey is ZRRYBSOVLCPQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrOS/c1-9-7-11(14)13(16-9)12(15)8-10-5-3-2-4-6-10/h2-7,12,15H,8H2,1H3.
What are the key properties of 1-(3-bromo-5-methylthiophen-2-yl)-2-phenylethanol?
1-(3-bromo-5-methylthiophen-2-yl)-2-phenylethanol has a molecular weight of 297.22 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylthiophen-2-yl)-2-phenylethanol is sourced from PubChem (CID 65278587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).