2-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-1-ol

C13H12Br2OS — CID 79437810

IUPAC2-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-1-ol
SMILESOCC(Cc1ccc(Br)s1)c1ccc(Br)cc1
InChIInChI=1S/C13H12Br2OS/c14-11-3-1-9(2-4-11)10(8-16)7-12-5-6-13(15)17-12/h1-6,10,16H,7-8H2
InChIKeyNAIADIALTZOYMT-UHFFFAOYSA-N
MW376.11 g/mol
LogP4.59
Rot. Bonds4

About 2-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-1-ol

2-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-1-ol (PubChem CID 79437810) has the molecular formula C13H12Br2OS and a molecular weight of 376.11 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-1-ol
PubChem CID79437810
Molecular FormulaC13H12Br2OS
Molecular Weight376.11 g/mol
Exact Mass373.90
IUPAC Name2-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-1-ol
SMILESOCC(Cc1ccc(Br)s1)c1ccc(Br)cc1
InChIInChI=1S/C13H12Br2OS/c14-11-3-1-9(2-4-11)10(8-16)7-12-5-6-13(15)17-12/h1-6,10,16H,7-8H2
InChIKeyNAIADIALTZOYMT-UHFFFAOYSA-N
XLogP4.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.11
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-[2-(4-bromophenyl)-3-chloropropyl]thiophene
CID 79435351
2-(4-bromophenyl)-3-sulfanylpropan-1-ol
CID 117245035
3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol
CID 79420784
2-bromo-5-(3-bromo-2-phenylpropyl)thiophene
CID 66043259
3-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)-N-methylpropan-1-amine
CID 79441567
2-[3-bromo-2-(4-bromophenyl)propyl]-5-chlorothiophene
CID 79434777
(2R)-2-(4-bromophenyl)butan-1-ol
CID 59315157
3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 79438156
1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-2-amine
CID 55095389
2-(5-bromothiophen-2-yl)-1-[4-(difluoromethyl)phenyl]ethanol
CID 115524905
3-(5-bromothiophen-2-yl)-2-(4-methylphenyl)-N-propylpropan-1-amine
CID 79436176
3-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)propan-1-ol
CID 104632394

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-1-ol?
The IUPAC name of 2-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-1-ol (CID 79437810) is 2-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-1-ol.
What is the SMILES notation for 2-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-1-ol?
The canonical SMILES for 2-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-1-ol is OCC(Cc1ccc(Br)s1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-1-ol?
The InChIKey is NAIADIALTZOYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2OS/c14-11-3-1-9(2-4-11)10(8-16)7-12-5-6-13(15)17-12/h1-6,10,16H,7-8H2.
What are the key properties of 2-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-1-ol?
2-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-1-ol has a molecular weight of 376.11 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-1-ol is sourced from PubChem (CID 79437810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).