1-(3-bromo-5-methylthiophen-2-yl)-2-(3-ethoxycyclobutyl)ethanol

C13H19BrO2S — CID 103165479

IUPAC1-(3-bromo-5-methylthiophen-2-yl)-2-(3-ethoxycyclobutyl)ethanol
SMILESCCOC1CC(CC(O)c2sc(C)cc2Br)C1
InChIInChI=1S/C13H19BrO2S/c1-3-16-10-5-9(6-10)7-12(15)13-11(14)4-8(2)17-13/h4,9-10,12,15H,3,5-7H2,1-2H3
InChIKeyNMNFDQIOCFNQOE-UHFFFAOYSA-N
MW319.26 g/mol
LogP4.06
Rot. Bonds5

About 1-(3-bromo-5-methylthiophen-2-yl)-2-(3-ethoxycyclobutyl)ethanol

1-(3-bromo-5-methylthiophen-2-yl)-2-(3-ethoxycyclobutyl)ethanol (PubChem CID 103165479) has the molecular formula C13H19BrO2S and a molecular weight of 319.26 g/mol. Its IUPAC name is 1-(3-bromo-5-methylthiophen-2-yl)-2-(3-ethoxycyclobutyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-5-methylthiophen-2-yl)-2-(3-ethoxycyclobutyl)ethanol
PubChem CID103165479
Molecular FormulaC13H19BrO2S
Molecular Weight319.26 g/mol
Exact Mass318.03
IUPAC Name1-(3-bromo-5-methylthiophen-2-yl)-2-(3-ethoxycyclobutyl)ethanol
SMILESCCOC1CC(CC(O)c2sc(C)cc2Br)C1
InChIInChI=1S/C13H19BrO2S/c1-3-16-10-5-9(6-10)7-12(15)13-11(14)4-8(2)17-13/h4,9-10,12,15H,3,5-7H2,1-2H3
InChIKeyNMNFDQIOCFNQOE-UHFFFAOYSA-N
XLogP4.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.26
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-3,5-dimethylthiophene
CID 103165987
2-(3-ethoxycyclobutyl)-1-(3-methylthiophen-2-yl)ethanol
CID 103165435
1-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165524
2,5-dibromo-3-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]thiophene
CID 103165824
2-(3-ethoxycyclobutyl)-1-(3-fluoro-5-methylphenyl)ethanol
CID 103170158
1-(2,4-difluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165491
2-(3-ethoxycyclobutyl)-1-(4-propan-2-ylphenyl)ethanol
CID 103165426
1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165377
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165503
1-(3-bromo-5-methylthiophen-2-yl)-2-phenylethanol
CID 65278587
N-[1-(5-bromo-2-methylthiophen-3-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
CID 103163194
1-(3-bromo-2,4-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165538

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-2-(3-ethoxycyclobutyl)ethanol?
The IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-2-(3-ethoxycyclobutyl)ethanol (CID 103165479) is 1-(3-bromo-5-methylthiophen-2-yl)-2-(3-ethoxycyclobutyl)ethanol.
What is the SMILES notation for 1-(3-bromo-5-methylthiophen-2-yl)-2-(3-ethoxycyclobutyl)ethanol?
The canonical SMILES for 1-(3-bromo-5-methylthiophen-2-yl)-2-(3-ethoxycyclobutyl)ethanol is CCOC1CC(CC(O)c2sc(C)cc2Br)C1.
What is the InChIKey of 1-(3-bromo-5-methylthiophen-2-yl)-2-(3-ethoxycyclobutyl)ethanol?
The InChIKey is NMNFDQIOCFNQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO2S/c1-3-16-10-5-9(6-10)7-12(15)13-11(14)4-8(2)17-13/h4,9-10,12,15H,3,5-7H2,1-2H3.
What are the key properties of 1-(3-bromo-5-methylthiophen-2-yl)-2-(3-ethoxycyclobutyl)ethanol?
1-(3-bromo-5-methylthiophen-2-yl)-2-(3-ethoxycyclobutyl)ethanol has a molecular weight of 319.26 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylthiophen-2-yl)-2-(3-ethoxycyclobutyl)ethanol is sourced from PubChem (CID 103165479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).