1-(3-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol

C12H10BrClOS — CID 107358970

IUPAC1-(3-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol
SMILESCC(O)(c1cccc(Br)c1)c1sccc1Cl
InChIInChI=1S/C12H10BrClOS/c1-12(15,11-10(14)5-6-16-11)8-3-2-4-9(13)7-8/h2-7,15H,1H3
InChIKeyMKWQYNPCUODGDA-UHFFFAOYSA-N
MW317.64 g/mol
LogP4.42
Rot. Bonds2

About 1-(3-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol

1-(3-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol (PubChem CID 107358970) has the molecular formula C12H10BrClOS and a molecular weight of 317.64 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol
PubChem CID107358970
Molecular FormulaC12H10BrClOS
Molecular Weight317.64 g/mol
Exact Mass315.93
IUPAC Name1-(3-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol
SMILESCC(O)(c1cccc(Br)c1)c1sccc1Cl
InChIInChI=1S/C12H10BrClOS/c1-12(15,11-10(14)5-6-16-11)8-3-2-4-9(13)7-8/h2-7,15H,1H3
InChIKeyMKWQYNPCUODGDA-UHFFFAOYSA-N
XLogP4.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.64
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromophenyl)-1-(3-chlorothiophen-2-yl)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

1-(3-chlorothiophen-2-yl)-1-phenylethanol
CID 107358959
2-(3-chlorothiophen-2-yl)propan-2-ol
CID 107358974
1-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62787446
1-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 55187138
1-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62802958
1-(3-bromophenyl)-1-(4-propylphenyl)ethanol
CID 63406796
(2S)-2-amino-2-(3-bromophenyl)propan-1-ol
CID 66931490
2-(3-bromophenyl)propan-2-ol;ethanol
CID 144557078
1-(3-bromophenyl)-1-pyridin-2-ylethanol
CID 163303407
1-(3-bromophenyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol
CID 106971462
1-(3-methylthiophen-2-yl)-1-phenylethanol
CID 63991510
1-amino-1-(3-bromophenyl)propan-1-ol
CID 141222959

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol?
The IUPAC name of 1-(3-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol (CID 107358970) is 1-(3-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol?
The canonical SMILES for 1-(3-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol is CC(O)(c1cccc(Br)c1)c1sccc1Cl.
What is the InChIKey of 1-(3-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol?
The InChIKey is MKWQYNPCUODGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClOS/c1-12(15,11-10(14)5-6-16-11)8-3-2-4-9(13)7-8/h2-7,15H,1H3.
What are the key properties of 1-(3-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol?
1-(3-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol has a molecular weight of 317.64 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol is sourced from PubChem (CID 107358970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).