3-(4-bromothiophen-2-yl)-2-(4-chlorophenyl)propan-1-ol

C13H12BrClOS — CID 79437398

IUPAC3-(4-bromothiophen-2-yl)-2-(4-chlorophenyl)propan-1-ol
SMILESOCC(Cc1cc(Br)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C13H12BrClOS/c14-11-6-13(17-8-11)5-10(7-16)9-1-3-12(15)4-2-9/h1-4,6,8,10,16H,5,7H2
InChIKeyCGAHPBUQCDPLEU-UHFFFAOYSA-N
MW331.66 g/mol
LogP4.48
Rot. Bonds4

About 3-(4-bromothiophen-2-yl)-2-(4-chlorophenyl)propan-1-ol

3-(4-bromothiophen-2-yl)-2-(4-chlorophenyl)propan-1-ol (PubChem CID 79437398) has the molecular formula C13H12BrClOS and a molecular weight of 331.66 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)-2-(4-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)-2-(4-chlorophenyl)propan-1-ol
PubChem CID79437398
Molecular FormulaC13H12BrClOS
Molecular Weight331.66 g/mol
Exact Mass329.95
IUPAC Name3-(4-bromothiophen-2-yl)-2-(4-chlorophenyl)propan-1-ol
SMILESOCC(Cc1cc(Br)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C13H12BrClOS/c14-11-6-13(17-8-11)5-10(7-16)9-1-3-12(15)4-2-9/h1-4,6,8,10,16H,5,7H2
InChIKeyCGAHPBUQCDPLEU-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.66
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-[2-(4-bromophenyl)-3-chloropropyl]thiophene
CID 79434241
1-(3-bromo-5-chlorophenyl)-2-(4-bromothiophen-2-yl)ethanamine
CID 107945558
1-(3-bromo-4-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanol
CID 65148395
[1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)propan-2-yl]hydrazine
CID 105197753
3-(2-bromo-5-fluorophenyl)-2-(4-chlorophenyl)propan-1-ol
CID 79437902
2-(4-chlorophenyl)-3-(3,5-difluorophenyl)propan-1-ol
CID 105410822
2-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-1-ol
CID 79437810
2-[(4-bromothiophen-2-yl)methyl]butan-1-ol
CID 66059833
2-[(4-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol
CID 66057797
3-amino-2-(4-chlorophenyl)propan-1-ol
CID 67926367
1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66144182
N-[3-(4-bromothiophen-2-yl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 65429324

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-2-yl)-2-(4-chlorophenyl)propan-1-ol?
The IUPAC name of 3-(4-bromothiophen-2-yl)-2-(4-chlorophenyl)propan-1-ol (CID 79437398) is 3-(4-bromothiophen-2-yl)-2-(4-chlorophenyl)propan-1-ol.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)-2-(4-chlorophenyl)propan-1-ol?
The canonical SMILES for 3-(4-bromothiophen-2-yl)-2-(4-chlorophenyl)propan-1-ol is OCC(Cc1cc(Br)cs1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-bromothiophen-2-yl)-2-(4-chlorophenyl)propan-1-ol?
The InChIKey is CGAHPBUQCDPLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClOS/c14-11-6-13(17-8-11)5-10(7-16)9-1-3-12(15)4-2-9/h1-4,6,8,10,16H,5,7H2.
What are the key properties of 3-(4-bromothiophen-2-yl)-2-(4-chlorophenyl)propan-1-ol?
3-(4-bromothiophen-2-yl)-2-(4-chlorophenyl)propan-1-ol has a molecular weight of 331.66 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromothiophen-2-yl)-2-(4-chlorophenyl)propan-1-ol is sourced from PubChem (CID 79437398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).