2-chloroacetic acid;prop-2-en-1-ol

C5H9ClO3 — CID 87152736

IUPAC2-chloroacetic acid;prop-2-en-1-ol
SMILESC=CCO.O=C(O)CCl
InChIInChI=1S/C3H6O.C2H3ClO2/c1-2-3-4;3-1-2(4)5/h2,4H,1,3H2;1H2,(H,4,5)
InChIKeyAZGAPWBXZAKMDZ-UHFFFAOYSA-N
MW152.58 g/mol
LogP0.47
Rot. Bonds2

About 2-chloroacetic acid;prop-2-en-1-ol

2-chloroacetic acid;prop-2-en-1-ol (PubChem CID 87152736) has the molecular formula C5H9ClO3 and a molecular weight of 152.58 g/mol. Its IUPAC name is 2-chloroacetic acid;prop-2-en-1-ol.

Molecular Properties

Compound Name2-chloroacetic acid;prop-2-en-1-ol
PubChem CID87152736
Molecular FormulaC5H9ClO3
Molecular Weight152.58 g/mol
Exact Mass152.02
IUPAC Name2-chloroacetic acid;prop-2-en-1-ol
SMILESC=CCO.O=C(O)CCl
InChIInChI=1S/C3H6O.C2H3ClO2/c1-2-3-4;3-1-2(4)5/h2,4H,1,3H2;1H2,(H,4,5)
InChIKeyAZGAPWBXZAKMDZ-UHFFFAOYSA-N
XLogP0.47
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

bis(2-chloroacetic acid);ethane-1,2-diol
CID 71439919
nonaheptacontasodium;nonakis(2-chloroacetic acid)
CID 173182170
2-chloroacetic acid;silver
CID 87585147
but-3-enoic acid;dichloromethane
CID 174886985
alumane;prop-2-en-1-ol
CID 173215342
palladium;prop-2-en-1-ol
CID 174738177
tetrakis(prop-2-en-1-ol);titanium
CID 87784373
tris(prop-2-en-1-ol);titanium
CID 177430302
prop-2-en-1-ol;stannane
CID 173011847
acetic acid;2-chloroacetic acid
CID 87108271
2-hydroxybutanedioic acid;prop-2-en-1-ol
CID 90283079
tris(2-aminoethanol);2-chloroacetic acid
CID 22995154

Frequently Asked Questions

What is the IUPAC name of 2-chloroacetic acid;prop-2-en-1-ol?
The IUPAC name of 2-chloroacetic acid;prop-2-en-1-ol (CID 87152736) is 2-chloroacetic acid;prop-2-en-1-ol.
What is the SMILES notation for 2-chloroacetic acid;prop-2-en-1-ol?
The canonical SMILES for 2-chloroacetic acid;prop-2-en-1-ol is C=CCO.O=C(O)CCl.
What is the InChIKey of 2-chloroacetic acid;prop-2-en-1-ol?
The InChIKey is AZGAPWBXZAKMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C2H3ClO2/c1-2-3-4;3-1-2(4)5/h2,4H,1,3H2;1H2,(H,4,5).
What are the key properties of 2-chloroacetic acid;prop-2-en-1-ol?
2-chloroacetic acid;prop-2-en-1-ol has a molecular weight of 152.58 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroacetic acid;prop-2-en-1-ol is sourced from PubChem (CID 87152736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).