3-(5-chlorofuran-3-yl)propanoic acid

C7H7ClO3 — CID 82653613

IUPAC3-(5-chlorofuran-3-yl)propanoic acid
SMILESO=C(O)CCc1coc(Cl)c1
InChIInChI=1S/C7H7ClO3/c8-6-3-5(4-11-6)1-2-7(9)10/h3-4H,1-2H2,(H,9,10)
InChIKeyKLDNLPUCGQLWNS-UHFFFAOYSA-N
MW174.58 g/mol
LogP1.95
Rot. Bonds3

About 3-(5-chlorofuran-3-yl)propanoic acid

3-(5-chlorofuran-3-yl)propanoic acid (PubChem CID 82653613) has the molecular formula C7H7ClO3 and a molecular weight of 174.58 g/mol. Its IUPAC name is 3-(5-chlorofuran-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-chlorofuran-3-yl)propanoic acid
PubChem CID82653613
Molecular FormulaC7H7ClO3
Molecular Weight174.58 g/mol
Exact Mass174.01
IUPAC Name3-(5-chlorofuran-3-yl)propanoic acid
SMILESO=C(O)CCc1coc(Cl)c1
InChIInChI=1S/C7H7ClO3/c8-6-3-5(4-11-6)1-2-7(9)10/h3-4H,1-2H2,(H,9,10)
InChIKeyKLDNLPUCGQLWNS-UHFFFAOYSA-N
XLogP1.95
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.58
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dipropylphenyl)propanoic acid
CID 58963924
3-(1,2-oxazol-4-yl)propanoic acid
CID 23006336
3-(4-chlorophenyl)propanoic acid;guanidine
CID 69413371
lanthanum;3-phenylpropanoic acid
CID 174887955
3-(6-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-yl)propanoic acid
CID 117454332
3-[3,4-bis(2-carboxyethyl)phenyl]propanoic acid
CID 11119944
3-(4-hydroperoxyphenyl)propanoic acid
CID 87907656
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
3-(4-amino-3-iodophenyl)propanoic acid
CID 11369803
3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid
CID 117424978
3-(4-bromo-3,5-dimethylphenyl)propanoic acid
CID 84805494
ethane;3-(4-hydroxy-3,5-dimethylphenyl)propanoic acid
CID 144504832

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorofuran-3-yl)propanoic acid?
The IUPAC name of 3-(5-chlorofuran-3-yl)propanoic acid (CID 82653613) is 3-(5-chlorofuran-3-yl)propanoic acid.
What is the SMILES notation for 3-(5-chlorofuran-3-yl)propanoic acid?
The canonical SMILES for 3-(5-chlorofuran-3-yl)propanoic acid is O=C(O)CCc1coc(Cl)c1.
What is the InChIKey of 3-(5-chlorofuran-3-yl)propanoic acid?
The InChIKey is KLDNLPUCGQLWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO3/c8-6-3-5(4-11-6)1-2-7(9)10/h3-4H,1-2H2,(H,9,10).
What are the key properties of 3-(5-chlorofuran-3-yl)propanoic acid?
3-(5-chlorofuran-3-yl)propanoic acid has a molecular weight of 174.58 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorofuran-3-yl)propanoic acid is sourced from PubChem (CID 82653613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).