1-(3-bromophenyl)-2-(5-ethylthiophen-2-yl)ethanol

C14H15BrOS — CID 62606304

IUPAC1-(3-bromophenyl)-2-(5-ethylthiophen-2-yl)ethanol
SMILESCCc1ccc(CC(O)c2cccc(Br)c2)s1
InChIInChI=1S/C14H15BrOS/c1-2-12-6-7-13(17-12)9-14(16)10-4-3-5-11(15)8-10/h3-8,14,16H,2,9H2,1H3
InChIKeyJKVPQWLLGBRURP-UHFFFAOYSA-N
MW311.24 g/mol
LogP4.35
Rot. Bonds4

About 1-(3-bromophenyl)-2-(5-ethylthiophen-2-yl)ethanol

1-(3-bromophenyl)-2-(5-ethylthiophen-2-yl)ethanol (PubChem CID 62606304) has the molecular formula C14H15BrOS and a molecular weight of 311.24 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(5-ethylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(5-ethylthiophen-2-yl)ethanol
PubChem CID62606304
Molecular FormulaC14H15BrOS
Molecular Weight311.24 g/mol
Exact Mass310.00
IUPAC Name1-(3-bromophenyl)-2-(5-ethylthiophen-2-yl)ethanol
SMILESCCc1ccc(CC(O)c2cccc(Br)c2)s1
InChIInChI=1S/C14H15BrOS/c1-2-12-6-7-13(17-12)9-14(16)10-4-3-5-11(15)8-10/h3-8,14,16H,2,9H2,1H3
InChIKeyJKVPQWLLGBRURP-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.24
LogP ≤ 54.35
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-ethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 62606842
1-(3-bromo-4-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 115786511
1-(5-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 65147995
2-[(3-bromophenyl)-chloromethyl]-5-ethylthiophene
CID 63431228
(3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198306
2-(5-bromothiophen-2-yl)-1-(3-methylphenyl)ethanol
CID 62606126
N-[2-(3-bromophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine
CID 79430577
3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol
CID 65187866
1-(3-bromophenyl)butan-1-ol
CID 18417756
(1R)-1-(3-bromophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine
CID 81382264
1-(2,3-dimethylphenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 65148352

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(5-ethylthiophen-2-yl)ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-(5-ethylthiophen-2-yl)ethanol (CID 62606304) is 1-(3-bromophenyl)-2-(5-ethylthiophen-2-yl)ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-(5-ethylthiophen-2-yl)ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-(5-ethylthiophen-2-yl)ethanol is CCc1ccc(CC(O)c2cccc(Br)c2)s1.
What is the InChIKey of 1-(3-bromophenyl)-2-(5-ethylthiophen-2-yl)ethanol?
The InChIKey is JKVPQWLLGBRURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrOS/c1-2-12-6-7-13(17-12)9-14(16)10-4-3-5-11(15)8-10/h3-8,14,16H,2,9H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(5-ethylthiophen-2-yl)ethanol?
1-(3-bromophenyl)-2-(5-ethylthiophen-2-yl)ethanol has a molecular weight of 311.24 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(5-ethylthiophen-2-yl)ethanol is sourced from PubChem (CID 62606304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).