2-(2-chloroprop-2-enoxy)acetic acid

C5H7ClO3 — CID 112692961

IUPAC2-(2-chloroprop-2-enoxy)acetic acid
SMILESC=C(Cl)COCC(=O)O
InChIInChI=1S/C5H7ClO3/c1-4(6)2-9-3-5(7)8/h1-3H2,(H,7,8)
InChIKeyZYRHDELCPICFCF-UHFFFAOYSA-N
MW150.56 g/mol
LogP0.84
Rot. Bonds4

About 2-(2-chloroprop-2-enoxy)acetic acid

2-(2-chloroprop-2-enoxy)acetic acid (PubChem CID 112692961) has the molecular formula C5H7ClO3 and a molecular weight of 150.56 g/mol. Its IUPAC name is 2-(2-chloroprop-2-enoxy)acetic acid.

Molecular Properties

Compound Name2-(2-chloroprop-2-enoxy)acetic acid
PubChem CID112692961
Molecular FormulaC5H7ClO3
Molecular Weight150.56 g/mol
Exact Mass150.01
IUPAC Name2-(2-chloroprop-2-enoxy)acetic acid
SMILESC=C(Cl)COCC(=O)O
InChIInChI=1S/C5H7ClO3/c1-4(6)2-9-3-5(7)8/h1-3H2,(H,7,8)
InChIKeyZYRHDELCPICFCF-UHFFFAOYSA-N
XLogP0.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.56
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroprop-2-enoxy)acetic acid?
The IUPAC name of 2-(2-chloroprop-2-enoxy)acetic acid (CID 112692961) is 2-(2-chloroprop-2-enoxy)acetic acid.
What is the SMILES notation for 2-(2-chloroprop-2-enoxy)acetic acid?
The canonical SMILES for 2-(2-chloroprop-2-enoxy)acetic acid is C=C(Cl)COCC(=O)O.
What is the InChIKey of 2-(2-chloroprop-2-enoxy)acetic acid?
The InChIKey is ZYRHDELCPICFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClO3/c1-4(6)2-9-3-5(7)8/h1-3H2,(H,7,8).
What are the key properties of 2-(2-chloroprop-2-enoxy)acetic acid?
2-(2-chloroprop-2-enoxy)acetic acid has a molecular weight of 150.56 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroprop-2-enoxy)acetic acid is sourced from PubChem (CID 112692961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).