2-(5-bromothiophen-2-yl)-1-(3-methylphenyl)ethanol

C13H13BrOS — CID 62606126

IUPAC2-(5-bromothiophen-2-yl)-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(O)Cc2ccc(Br)s2)c1
InChIInChI=1S/C13H13BrOS/c1-9-3-2-4-10(7-9)12(15)8-11-5-6-13(14)16-11/h2-7,12,15H,8H2,1H3
InChIKeyQJVOOMUANFJACI-UHFFFAOYSA-N
MW297.22 g/mol
LogP4.10
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-(3-methylphenyl)ethanol

2-(5-bromothiophen-2-yl)-1-(3-methylphenyl)ethanol (PubChem CID 62606126) has the molecular formula C13H13BrOS and a molecular weight of 297.22 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(3-methylphenyl)ethanol
PubChem CID62606126
Molecular FormulaC13H13BrOS
Molecular Weight297.22 g/mol
Exact Mass295.99
IUPAC Name2-(5-bromothiophen-2-yl)-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(O)Cc2ccc(Br)s2)c1
InChIInChI=1S/C13H13BrOS/c1-9-3-2-4-10(7-9)12(15)8-11-5-6-13(14)16-11/h2-7,12,15H,8H2,1H3
InChIKeyQJVOOMUANFJACI-UHFFFAOYSA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-(5-bromothiophen-2-yl)ethanol
CID 62606111
1-(3-bromophenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 62606304
1-(3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641878
2-(5-bromothiophen-2-yl)-1-[4-(difluoromethyl)phenyl]ethanol
CID 115524905
2-bromo-5-[2-(bromomethyl)-3-(3-methylphenyl)propyl]thiophene
CID 66041103
2-(furan-3-yl)-1-(3-methylphenyl)ethanol
CID 83171478
(5-bromothiophen-2-yl)-(3-methylphenyl)methanamine
CID 61102439
2-(5-bromothiophen-2-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol
CID 65151077
1-(3-bromo-4-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 115786511
ethane;1-(3-methylphenyl)butan-1-ol
CID 143891671
2-(5-bromothiophen-2-yl)-1-(4-methylphenyl)ethanamine
CID 62607190
2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanol
CID 115785760

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(3-methylphenyl)ethanol?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(3-methylphenyl)ethanol (CID 62606126) is 2-(5-bromothiophen-2-yl)-1-(3-methylphenyl)ethanol.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(3-methylphenyl)ethanol?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(3-methylphenyl)ethanol is Cc1cccc(C(O)Cc2ccc(Br)s2)c1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(3-methylphenyl)ethanol?
The InChIKey is QJVOOMUANFJACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrOS/c1-9-3-2-4-10(7-9)12(15)8-11-5-6-13(14)16-11/h2-7,12,15H,8H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(3-methylphenyl)ethanol?
2-(5-bromothiophen-2-yl)-1-(3-methylphenyl)ethanol has a molecular weight of 297.22 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(3-methylphenyl)ethanol is sourced from PubChem (CID 62606126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).