3-(3-chlorophenoxy)-2-(furan-2-yl)propanoic acid

C13H11ClO4 — CID 117241019

IUPAC3-(3-chlorophenoxy)-2-(furan-2-yl)propanoic acid
SMILESO=C(O)C(COc1cccc(Cl)c1)c1ccco1
InChIInChI=1S/C13H11ClO4/c14-9-3-1-4-10(7-9)18-8-11(13(15)16)12-5-2-6-17-12/h1-7,11H,8H2,(H,15,16)
InChIKeyLLAXLNZRTIHOQW-UHFFFAOYSA-N
MW266.68 g/mol
LogP3.18
Rot. Bonds5

About 3-(3-chlorophenoxy)-2-(furan-2-yl)propanoic acid

3-(3-chlorophenoxy)-2-(furan-2-yl)propanoic acid (PubChem CID 117241019) has the molecular formula C13H11ClO4 and a molecular weight of 266.68 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-2-(furan-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-2-(furan-2-yl)propanoic acid
PubChem CID117241019
Molecular FormulaC13H11ClO4
Molecular Weight266.68 g/mol
Exact Mass266.03
IUPAC Name3-(3-chlorophenoxy)-2-(furan-2-yl)propanoic acid
SMILESO=C(O)C(COc1cccc(Cl)c1)c1ccco1
InChIInChI=1S/C13H11ClO4/c14-9-3-1-4-10(7-9)18-8-11(13(15)16)12-5-2-6-17-12/h1-7,11H,8H2,(H,15,16)
InChIKeyLLAXLNZRTIHOQW-UHFFFAOYSA-N
XLogP3.18
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenoxy)-2-(furan-2-yl)propanoic acid
CID 117241020
2-[(3-chlorophenoxy)methyl]-3-(furan-2-yl)propanoic acid
CID 117246393
3-(3-chlorophenoxy)-2-(2-hydroxyphenyl)propanoic acid
CID 117244384
3-(3-chlorophenoxy)-2-(3-hydroxyphenyl)propanoic acid
CID 117243432
3-(3-chlorophenoxy)-2-(4-fluorophenyl)propanoic acid
CID 117245238
2-(3-chlorophenyl)-3-(3-methoxyphenoxy)propanoic acid
CID 117243423
1-(3-chlorophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol
CID 167784638
2-(2-chlorophenyl)-3-(3-methylphenoxy)propanoic acid
CID 117244362
2-(2-chlorophenyl)-3-phenoxypropanoic acid
CID 117244307
2-(furan-2-yl)-3-sulfanylpropanoic acid
CID 117241167
(2S)-2-[2-(3-chlorophenoxy)ethoxy]propanoic acid
CID 104876454
methyl 2-amino-3-(3-chlorophenoxy)propanoate
CID 86263202

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-2-(furan-2-yl)propanoic acid?
The IUPAC name of 3-(3-chlorophenoxy)-2-(furan-2-yl)propanoic acid (CID 117241019) is 3-(3-chlorophenoxy)-2-(furan-2-yl)propanoic acid.
What is the SMILES notation for 3-(3-chlorophenoxy)-2-(furan-2-yl)propanoic acid?
The canonical SMILES for 3-(3-chlorophenoxy)-2-(furan-2-yl)propanoic acid is O=C(O)C(COc1cccc(Cl)c1)c1ccco1.
What is the InChIKey of 3-(3-chlorophenoxy)-2-(furan-2-yl)propanoic acid?
The InChIKey is LLAXLNZRTIHOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO4/c14-9-3-1-4-10(7-9)18-8-11(13(15)16)12-5-2-6-17-12/h1-7,11H,8H2,(H,15,16).
What are the key properties of 3-(3-chlorophenoxy)-2-(furan-2-yl)propanoic acid?
3-(3-chlorophenoxy)-2-(furan-2-yl)propanoic acid has a molecular weight of 266.68 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-2-(furan-2-yl)propanoic acid is sourced from PubChem (CID 117241019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).