1-(4-bromo-5-chlorothiophen-2-yl)-3-phenylpropan-1-ol

C13H12BrClOS — CID 102829973

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-3-phenylpropan-1-ol
SMILESOC(CCc1ccccc1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C13H12BrClOS/c14-10-8-12(17-13(10)15)11(16)7-6-9-4-2-1-3-5-9/h1-5,8,11,16H,6-7H2
InChIKeyWKCOYLCGJSTNAS-UHFFFAOYSA-N
MW331.66 g/mol
LogP4.83
Rot. Bonds4

About 1-(4-bromo-5-chlorothiophen-2-yl)-3-phenylpropan-1-ol

1-(4-bromo-5-chlorothiophen-2-yl)-3-phenylpropan-1-ol (PubChem CID 102829973) has the molecular formula C13H12BrClOS and a molecular weight of 331.66 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-3-phenylpropan-1-ol
PubChem CID102829973
Molecular FormulaC13H12BrClOS
Molecular Weight331.66 g/mol
Exact Mass329.95
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-3-phenylpropan-1-ol
SMILESOC(CCc1ccccc1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C13H12BrClOS/c14-10-8-12(17-13(10)15)11(16)7-6-9-4-2-1-3-5-9/h1-5,8,11,16H,6-7H2
InChIKeyWKCOYLCGJSTNAS-UHFFFAOYSA-N
XLogP4.83
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 ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-5-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethanol
CID 102829814
1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanol
CID 102830220
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-2-phenylethanamine
CID 102828408
1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102857075
1-(4-bromo-5-chlorothiophen-2-yl)-2-methoxyethanol
CID 102830262
2-(benzylamino)-2-(4-bromo-5-chlorothiophen-2-yl)acetamide
CID 102840225
1-(5-chlorothiophen-2-yl)-4-phenylbutan-1-ol
CID 65149922
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-ol
CID 64916015
3-bromo-5-[2-(3-bromophenyl)-1-chloroethyl]-2-chlorothiophene
CID 102836380
3-bromo-2-chloro-5-[1-chloro-2-(3-chlorophenyl)ethyl]thiophene
CID 102836654
3-bromo-2-chloro-5-[chloro-(2-iodophenyl)methyl]thiophene
CID 102836626

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-3-phenylpropan-1-ol?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-3-phenylpropan-1-ol (CID 102829973) is 1-(4-bromo-5-chlorothiophen-2-yl)-3-phenylpropan-1-ol.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-3-phenylpropan-1-ol?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-3-phenylpropan-1-ol is OC(CCc1ccccc1)c1cc(Br)c(Cl)s1.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-3-phenylpropan-1-ol?
The InChIKey is WKCOYLCGJSTNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClOS/c14-10-8-12(17-13(10)15)11(16)7-6-9-4-2-1-3-5-9/h1-5,8,11,16H,6-7H2.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-3-phenylpropan-1-ol?
1-(4-bromo-5-chlorothiophen-2-yl)-3-phenylpropan-1-ol has a molecular weight of 331.66 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chlorothiophen-2-yl)-3-phenylpropan-1-ol is sourced from PubChem (CID 102829973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).