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

C14H15BrOS — CID 79976015

IUPAC2-(3-bromophenyl)-1-(3-ethylthiophen-2-yl)ethanol
SMILESCCc1ccsc1C(O)Cc1cccc(Br)c1
InChIInChI=1S/C14H15BrOS/c1-2-11-6-7-17-14(11)13(16)9-10-4-3-5-12(15)8-10/h3-8,13,16H,2,9H2,1H3
InChIKeyZSZAAFIZFVBIDI-UHFFFAOYSA-N
MW311.24 g/mol
LogP4.35
Rot. Bonds4

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

2-(3-bromophenyl)-1-(3-ethylthiophen-2-yl)ethanol (PubChem CID 79976015) has the molecular formula C14H15BrOS and a molecular weight of 311.24 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(3-ethylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(3-ethylthiophen-2-yl)ethanol
PubChem CID79976015
Molecular FormulaC14H15BrOS
Molecular Weight311.24 g/mol
Exact Mass310.00
IUPAC Name2-(3-bromophenyl)-1-(3-ethylthiophen-2-yl)ethanol
SMILESCCc1ccsc1C(O)Cc1cccc(Br)c1
InChIInChI=1S/C14H15BrOS/c1-2-11-6-7-17-14(11)13(16)9-10-4-3-5-12(15)8-10/h3-8,13,16H,2,9H2,1H3
InChIKeyZSZAAFIZFVBIDI-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-ethylthiophen-2-yl)-2-phenylethanol
CID 79975807
2-(3-bromophenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine
CID 63797942
1-(3-ethylthiophen-2-yl)-2-(4-nitrophenyl)ethanol
CID 79975290
2-(2,5-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol
CID 114982148
2-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 62388216
4-[1-bromo-2-(3-bromophenyl)ethyl]-1,2-diethylbenzene
CID 115482941
(1S)-3-amino-1-(3-ethylthiophen-2-yl)propan-1-ol
CID 96854417
1-(3-ethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol
CID 79976328
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanol
CID 115816341
1-(3-ethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanamine
CID 79975339
1-bromo-3-[2-[1-(3-bromophenyl)butan-2-yloxy]butyl]benzene
CID 67313726
1-(3-bromophenyl)-4-ethylhexan-2-ol
CID 82919634

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(3-ethylthiophen-2-yl)ethanol?
The IUPAC name of 2-(3-bromophenyl)-1-(3-ethylthiophen-2-yl)ethanol (CID 79976015) is 2-(3-bromophenyl)-1-(3-ethylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-(3-bromophenyl)-1-(3-ethylthiophen-2-yl)ethanol?
The canonical SMILES for 2-(3-bromophenyl)-1-(3-ethylthiophen-2-yl)ethanol is CCc1ccsc1C(O)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-(3-ethylthiophen-2-yl)ethanol?
The InChIKey is ZSZAAFIZFVBIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrOS/c1-2-11-6-7-17-14(11)13(16)9-10-4-3-5-12(15)8-10/h3-8,13,16H,2,9H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-(3-ethylthiophen-2-yl)ethanol?
2-(3-bromophenyl)-1-(3-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 2-(3-bromophenyl)-1-(3-ethylthiophen-2-yl)ethanol is sourced from PubChem (CID 79976015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).