2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)ethyl]cyclohexyl]acetic acid

C14H18BrClO2S — CID 80532221

IUPAC2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)ethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CCc2cc(Cl)c(Br)s2)CCCCC1
InChIInChI=1S/C14H18BrClO2S/c15-13-11(16)8-10(19-13)4-7-14(9-12(17)18)5-2-1-3-6-14/h8H,1-7,9H2,(H,17,18)
InChIKeyHAHOGMVFLGKTHO-UHFFFAOYSA-N
MW365.72 g/mol
LogP5.52
Rot. Bonds5

About 2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)ethyl]cyclohexyl]acetic acid

2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)ethyl]cyclohexyl]acetic acid (PubChem CID 80532221) has the molecular formula C14H18BrClO2S and a molecular weight of 365.72 g/mol. Its IUPAC name is 2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)ethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)ethyl]cyclohexyl]acetic acid
PubChem CID80532221
Molecular FormulaC14H18BrClO2S
Molecular Weight365.72 g/mol
Exact Mass363.99
IUPAC Name2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)ethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CCc2cc(Cl)c(Br)s2)CCCCC1
InChIInChI=1S/C14H18BrClO2S/c15-13-11(16)8-10(19-13)4-7-14(9-12(17)18)5-2-1-3-6-14/h8H,1-7,9H2,(H,17,18)
InChIKeyHAHOGMVFLGKTHO-UHFFFAOYSA-N
XLogP5.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.72
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 80530829
2-[1-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid
CID 102828905
2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclohexyl]acetic acid
CID 43804838
2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclopentyl]acetic acid
CID 63536675
2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)ethyl]cyclopentyl]-N-(2-methoxyethyl)ethanamine
CID 80533633
2-[1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 43804803
2-[1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopentyl]acetic acid
CID 104546079
2-[1-[2-oxo-2-(2,4,6-trichlorophenyl)ethyl]cyclopentyl]acetic acid
CID 105349518
2-[1-[2-(2,4-dichlorophenyl)-2-oxoethyl]cyclohexyl]acetic acid
CID 63496419
2-[1-[[(2,5-dibromothiophene-3-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 103932825
2-[1-[2-(4,5-dibromothiophen-2-yl)ethyl]cyclohexyl]-N-methylethanamine
CID 80535027
methyl 2-[1-[2-amino-2-(5-bromo-4-chlorothiophen-2-yl)ethyl]cyclohexyl]acetate
CID 80532193

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)ethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)ethyl]cyclohexyl]acetic acid (CID 80532221) is 2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)ethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)ethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)ethyl]cyclohexyl]acetic acid is O=C(O)CC1(CCc2cc(Cl)c(Br)s2)CCCCC1.
What is the InChIKey of 2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)ethyl]cyclohexyl]acetic acid?
The InChIKey is HAHOGMVFLGKTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClO2S/c15-13-11(16)8-10(19-13)4-7-14(9-12(17)18)5-2-1-3-6-14/h8H,1-7,9H2,(H,17,18).
What are the key properties of 2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)ethyl]cyclohexyl]acetic acid?
2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)ethyl]cyclohexyl]acetic acid has a molecular weight of 365.72 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)ethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 80532221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).