2-[2-(4,5-dibromothiophen-2-yl)-2-hydroxyethoxy]acetic acid

C8H8Br2O4S — CID 80535278

IUPAC2-[2-(4,5-dibromothiophen-2-yl)-2-hydroxyethoxy]acetic acid
SMILESO=C(O)COCC(O)c1cc(Br)c(Br)s1
InChIInChI=1S/C8H8Br2O4S/c9-4-1-6(15-8(4)10)5(11)2-14-3-7(12)13/h1,5,11H,2-3H2,(H,12,13)
InChIKeyNBARSQITXNWBEY-UHFFFAOYSA-N
MW360.02 g/mol
LogP2.41
Rot. Bonds5

About 2-[2-(4,5-dibromothiophen-2-yl)-2-hydroxyethoxy]acetic acid

2-[2-(4,5-dibromothiophen-2-yl)-2-hydroxyethoxy]acetic acid (PubChem CID 80535278) has the molecular formula C8H8Br2O4S and a molecular weight of 360.02 g/mol. Its IUPAC name is 2-[2-(4,5-dibromothiophen-2-yl)-2-hydroxyethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(4,5-dibromothiophen-2-yl)-2-hydroxyethoxy]acetic acid
PubChem CID80535278
Molecular FormulaC8H8Br2O4S
Molecular Weight360.02 g/mol
Exact Mass357.85
IUPAC Name2-[2-(4,5-dibromothiophen-2-yl)-2-hydroxyethoxy]acetic acid
SMILESO=C(O)COCC(O)c1cc(Br)c(Br)s1
InChIInChI=1S/C8H8Br2O4S/c9-4-1-6(15-8(4)10)5(11)2-14-3-7(12)13/h1,5,11H,2-3H2,(H,12,13)
InChIKeyNBARSQITXNWBEY-UHFFFAOYSA-N
XLogP2.41
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.02
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(4,5-dibromothiophen-2-yl)propan-1-ol
CID 80538163
1-(4,5-dibromothiophen-2-yl)-4-methoxybutan-1-ol
CID 115839601
6-amino-6-(4,5-dibromothiophen-2-yl)hexanoic acid
CID 80535411
1-(4,5-dibromothiophen-2-yl)heptan-1-ol
CID 114753442
1-(4-bromo-5-chlorothiophen-2-yl)-2-methoxyethanol
CID 102830262
2-[2-hydroxy-2-(2,3,4,6-tetrachlorophenyl)ethoxy]acetic acid
CID 105349698
1-(4,5-dibromothiophen-2-yl)octan-1-ol
CID 80535373
3-(4,5-dibromothiophen-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 102841436
2-(4,5-dibromothiophen-2-yl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 102841122
1-(4,5-dibromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 80535664
2-(4,5-dibromothiophen-2-yl)-2-(prop-2-ynylamino)acetic acid
CID 102841028
2-[2-(2,4-difluoro-5-methylphenyl)-2-hydroxyethoxy]acetic acid
CID 79733291

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,5-dibromothiophen-2-yl)-2-hydroxyethoxy]acetic acid?
The IUPAC name of 2-[2-(4,5-dibromothiophen-2-yl)-2-hydroxyethoxy]acetic acid (CID 80535278) is 2-[2-(4,5-dibromothiophen-2-yl)-2-hydroxyethoxy]acetic acid.
What is the SMILES notation for 2-[2-(4,5-dibromothiophen-2-yl)-2-hydroxyethoxy]acetic acid?
The canonical SMILES for 2-[2-(4,5-dibromothiophen-2-yl)-2-hydroxyethoxy]acetic acid is O=C(O)COCC(O)c1cc(Br)c(Br)s1.
What is the InChIKey of 2-[2-(4,5-dibromothiophen-2-yl)-2-hydroxyethoxy]acetic acid?
The InChIKey is NBARSQITXNWBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2O4S/c9-4-1-6(15-8(4)10)5(11)2-14-3-7(12)13/h1,5,11H,2-3H2,(H,12,13).
What are the key properties of 2-[2-(4,5-dibromothiophen-2-yl)-2-hydroxyethoxy]acetic acid?
2-[2-(4,5-dibromothiophen-2-yl)-2-hydroxyethoxy]acetic acid has a molecular weight of 360.02 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,5-dibromothiophen-2-yl)-2-hydroxyethoxy]acetic acid is sourced from PubChem (CID 80535278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).