1,3-dichloroprop-1-ene;prop-2-en-1-ol

C6H10Cl2O — CID 174971735

IUPAC1,3-dichloroprop-1-ene;prop-2-en-1-ol
SMILESC=CCO.ClC=CCCl
InChIInChI=1S/C3H4Cl2.C3H6O/c4-2-1-3-5;1-2-3-4/h1-2H,3H2;2,4H,1,3H2
InChIKeyKBGLXLGGLKTGAS-UHFFFAOYSA-N
MW169.05 g/mol
LogP2.14
Rot. Bonds2

About 1,3-dichloroprop-1-ene;prop-2-en-1-ol

1,3-dichloroprop-1-ene;prop-2-en-1-ol (PubChem CID 174971735) has the molecular formula C6H10Cl2O and a molecular weight of 169.05 g/mol. Its IUPAC name is 1,3-dichloroprop-1-ene;prop-2-en-1-ol.

Molecular Properties

Compound Name1,3-dichloroprop-1-ene;prop-2-en-1-ol
PubChem CID174971735
Molecular FormulaC6H10Cl2O
Molecular Weight169.05 g/mol
Exact Mass168.01
IUPAC Name1,3-dichloroprop-1-ene;prop-2-en-1-ol
SMILESC=CCO.ClC=CCCl
InChIInChI=1S/C3H4Cl2.C3H6O/c4-2-1-3-5;1-2-3-4/h1-2H,3H2;2,4H,1,3H2
InChIKeyKBGLXLGGLKTGAS-UHFFFAOYSA-N
XLogP2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.05
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

prop-2-en-1-ol;stannane
CID 173011847
tris(prop-2-en-1-ol);titanium
CID 177430302
tetrakis(prop-2-en-1-ol);titanium
CID 87784373
alumane;prop-2-en-1-ol
CID 173215342
palladium;prop-2-en-1-ol
CID 174738177
2-chloroacetic acid;prop-2-en-1-ol
CID 87152736
1,2-dichloropropane;(E)-1,3-dichloroprop-1-ene
CID 18186137
prop-2-en-1-ol;1,3,5-triazine
CID 174415460
(1E,5E)-1,7-dichlorohepta-1,5-diene
CID 55303187
methane;prop-2-en-1-ol;fluoride;hydroxide;hydrate
CID 161314513
ethenol;prop-2-en-1-ol;titanium;dihydrate
CID 88804274
3-chloroprop-1-enyl-λ2-stannane
CID 174602805

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloroprop-1-ene;prop-2-en-1-ol?
The IUPAC name of 1,3-dichloroprop-1-ene;prop-2-en-1-ol (CID 174971735) is 1,3-dichloroprop-1-ene;prop-2-en-1-ol.
What is the SMILES notation for 1,3-dichloroprop-1-ene;prop-2-en-1-ol?
The canonical SMILES for 1,3-dichloroprop-1-ene;prop-2-en-1-ol is C=CCO.ClC=CCCl.
What is the InChIKey of 1,3-dichloroprop-1-ene;prop-2-en-1-ol?
The InChIKey is KBGLXLGGLKTGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Cl2.C3H6O/c4-2-1-3-5;1-2-3-4/h1-2H,3H2;2,4H,1,3H2.
What are the key properties of 1,3-dichloroprop-1-ene;prop-2-en-1-ol?
1,3-dichloroprop-1-ene;prop-2-en-1-ol has a molecular weight of 169.05 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloroprop-1-ene;prop-2-en-1-ol is sourced from PubChem (CID 174971735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).