1-(3-bromo-5-methylthiophen-2-yl)-2-(3-chlorophenyl)ethanol

C13H12BrClOS — CID 65278533

IUPAC1-(3-bromo-5-methylthiophen-2-yl)-2-(3-chlorophenyl)ethanol
SMILESCc1cc(Br)c(C(O)Cc2cccc(Cl)c2)s1
InChIInChI=1S/C13H12BrClOS/c1-8-5-11(14)13(17-8)12(16)7-9-3-2-4-10(15)6-9/h2-6,12,16H,7H2,1H3
InChIKeyWMQOUPGCNIOTPU-UHFFFAOYSA-N
MW331.66 g/mol
LogP4.75
Rot. Bonds3

About 1-(3-bromo-5-methylthiophen-2-yl)-2-(3-chlorophenyl)ethanol

1-(3-bromo-5-methylthiophen-2-yl)-2-(3-chlorophenyl)ethanol (PubChem CID 65278533) has the molecular formula C13H12BrClOS and a molecular weight of 331.66 g/mol. Its IUPAC name is 1-(3-bromo-5-methylthiophen-2-yl)-2-(3-chlorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-5-methylthiophen-2-yl)-2-(3-chlorophenyl)ethanol
PubChem CID65278533
Molecular FormulaC13H12BrClOS
Molecular Weight331.66 g/mol
Exact Mass329.95
IUPAC Name1-(3-bromo-5-methylthiophen-2-yl)-2-(3-chlorophenyl)ethanol
SMILESCc1cc(Br)c(C(O)Cc2cccc(Cl)c2)s1
InChIInChI=1S/C13H12BrClOS/c1-8-5-11(14)13(17-8)12(16)7-9-3-2-4-10(15)6-9/h2-6,12,16H,7H2,1H3
InChIKeyWMQOUPGCNIOTPU-UHFFFAOYSA-N
XLogP4.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.66
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-methylthiophen-2-yl)-2-phenylethanol
CID 65278587
(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methanol
CID 65278280
2-(3-chlorophenyl)-1-(3,5-dibromophenyl)ethanol
CID 107978121
(3-bromo-5-methylthiophen-2-yl)-(3-methylphenyl)methanol
CID 65278704
N-[(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methyl]propan-1-amine
CID 65278364
N-[1-(3-bromo-5-methylthiophen-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 65278683
3-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]thiophene
CID 63799658
2-(3-chlorophenyl)-1-(5-methylfuran-3-yl)ethanol
CID 114822934
2-bromo-5-[1-chloro-2-(3-chlorophenyl)ethyl]-3-methylthiophene
CID 79997119
1-(3-chlorophenyl)pentane-2,3-diol
CID 103454691
1-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]-3-methylbenzene
CID 66040904
2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol
CID 60797873

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-2-(3-chlorophenyl)ethanol?
The IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-2-(3-chlorophenyl)ethanol (CID 65278533) is 1-(3-bromo-5-methylthiophen-2-yl)-2-(3-chlorophenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-5-methylthiophen-2-yl)-2-(3-chlorophenyl)ethanol?
The canonical SMILES for 1-(3-bromo-5-methylthiophen-2-yl)-2-(3-chlorophenyl)ethanol is Cc1cc(Br)c(C(O)Cc2cccc(Cl)c2)s1.
What is the InChIKey of 1-(3-bromo-5-methylthiophen-2-yl)-2-(3-chlorophenyl)ethanol?
The InChIKey is WMQOUPGCNIOTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClOS/c1-8-5-11(14)13(17-8)12(16)7-9-3-2-4-10(15)6-9/h2-6,12,16H,7H2,1H3.
What are the key properties of 1-(3-bromo-5-methylthiophen-2-yl)-2-(3-chlorophenyl)ethanol?
1-(3-bromo-5-methylthiophen-2-yl)-2-(3-chlorophenyl)ethanol has a molecular weight of 331.66 g/mol, XLogP of 4.75, 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-(3-chlorophenyl)ethanol is sourced from PubChem (CID 65278533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).