2-[(2-bromothiophen-3-yl)methyl]oxolane-2-carboxylic acid

C10H11BrO3S — CID 130648429

IUPAC2-[(2-bromothiophen-3-yl)methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1(Cc2ccsc2Br)CCCO1
InChIInChI=1S/C10H11BrO3S/c11-8-7(2-5-15-8)6-10(9(12)13)3-1-4-14-10/h2,5H,1,3-4,6H2,(H,12,13)
InChIKeyYYLIMBAGNWIDIO-UHFFFAOYSA-N
MW291.17 g/mol
LogP2.69
Rot. Bonds3

About 2-[(2-bromothiophen-3-yl)methyl]oxolane-2-carboxylic acid

2-[(2-bromothiophen-3-yl)methyl]oxolane-2-carboxylic acid (PubChem CID 130648429) has the molecular formula C10H11BrO3S and a molecular weight of 291.17 g/mol. Its IUPAC name is 2-[(2-bromothiophen-3-yl)methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-[(2-bromothiophen-3-yl)methyl]oxolane-2-carboxylic acid
PubChem CID130648429
Molecular FormulaC10H11BrO3S
Molecular Weight291.17 g/mol
Exact Mass289.96
IUPAC Name2-[(2-bromothiophen-3-yl)methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1(Cc2ccsc2Br)CCCO1
InChIInChI=1S/C10H11BrO3S/c11-8-7(2-5-15-8)6-10(9(12)13)3-1-4-14-10/h2,5H,1,3-4,6H2,(H,12,13)
InChIKeyYYLIMBAGNWIDIO-UHFFFAOYSA-N
XLogP2.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyloxolane-2-carboxylic acid
CID 18467992
2-benzyloxane-2-carboxylic acid
CID 12030266
1-[(2-bromothiophen-3-yl)methyl]cyclopropane-1-carbaldehyde
CID 130647526
2-(1,3-thiazol-4-ylmethyl)oxane-2-carboxylic acid
CID 127019769
[3-[(2-bromothiophen-3-yl)methyl]azetidin-3-yl]methanol
CID 130806375
2-(oxan-4-ylmethyl)oxolane-2-carboxylic acid
CID 131026714
2-[[1-[(4-carboxythiophen-2-yl)methyl]triazol-4-yl]methyl]oxolane-2-carboxylic acid
CID 167865558
2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxylic acid
CID 110248554
1-[(2-bromothiophen-3-yl)methyl]-3-propan-2-ylurea
CID 130767255
2-bromo-3-(bromomethyl)thiophene
CID 2735537
(3-ethylthiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787271
3-[(2-bromothiophen-3-yl)methyl]-3-ethylazetidine
CID 130835554

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromothiophen-3-yl)methyl]oxolane-2-carboxylic acid?
The IUPAC name of 2-[(2-bromothiophen-3-yl)methyl]oxolane-2-carboxylic acid (CID 130648429) is 2-[(2-bromothiophen-3-yl)methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 2-[(2-bromothiophen-3-yl)methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 2-[(2-bromothiophen-3-yl)methyl]oxolane-2-carboxylic acid is O=C(O)C1(Cc2ccsc2Br)CCCO1.
What is the InChIKey of 2-[(2-bromothiophen-3-yl)methyl]oxolane-2-carboxylic acid?
The InChIKey is YYLIMBAGNWIDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3S/c11-8-7(2-5-15-8)6-10(9(12)13)3-1-4-14-10/h2,5H,1,3-4,6H2,(H,12,13).
What are the key properties of 2-[(2-bromothiophen-3-yl)methyl]oxolane-2-carboxylic acid?
2-[(2-bromothiophen-3-yl)methyl]oxolane-2-carboxylic acid has a molecular weight of 291.17 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromothiophen-3-yl)methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 130648429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).