2-chloro-3-(2,3-dichloroprop-2-enoxy)prop-2-en-1-ol

C6H7Cl3O2 — CID 57116502

IUPAC2-chloro-3-(2,3-dichloroprop-2-enoxy)prop-2-en-1-ol
SMILESOCC(Cl)=COCC(Cl)=CCl
InChIInChI=1S/C6H7Cl3O2/c7-1-5(8)3-11-4-6(9)2-10/h1,4,10H,2-3H2
InChIKeyVZITUZNTBCTQHP-UHFFFAOYSA-N
MW217.48 g/mol
LogP2.39
Rot. Bonds4

About 2-chloro-3-(2,3-dichloroprop-2-enoxy)prop-2-en-1-ol

2-chloro-3-(2,3-dichloroprop-2-enoxy)prop-2-en-1-ol (PubChem CID 57116502) has the molecular formula C6H7Cl3O2 and a molecular weight of 217.48 g/mol. Its IUPAC name is 2-chloro-3-(2,3-dichloroprop-2-enoxy)prop-2-en-1-ol.

Molecular Properties

Compound Name2-chloro-3-(2,3-dichloroprop-2-enoxy)prop-2-en-1-ol
PubChem CID57116502
Molecular FormulaC6H7Cl3O2
Molecular Weight217.48 g/mol
Exact Mass215.95
IUPAC Name2-chloro-3-(2,3-dichloroprop-2-enoxy)prop-2-en-1-ol
SMILESOCC(Cl)=COCC(Cl)=CCl
InChIInChI=1S/C6H7Cl3O2/c7-1-5(8)3-11-4-6(9)2-10/h1,4,10H,2-3H2
InChIKeyVZITUZNTBCTQHP-UHFFFAOYSA-N
XLogP2.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2,3-dichloroprop-2-enoxy)prop-2-en-1-ol?
The IUPAC name of 2-chloro-3-(2,3-dichloroprop-2-enoxy)prop-2-en-1-ol (CID 57116502) is 2-chloro-3-(2,3-dichloroprop-2-enoxy)prop-2-en-1-ol.
What is the SMILES notation for 2-chloro-3-(2,3-dichloroprop-2-enoxy)prop-2-en-1-ol?
The canonical SMILES for 2-chloro-3-(2,3-dichloroprop-2-enoxy)prop-2-en-1-ol is OCC(Cl)=COCC(Cl)=CCl.
What is the InChIKey of 2-chloro-3-(2,3-dichloroprop-2-enoxy)prop-2-en-1-ol?
The InChIKey is VZITUZNTBCTQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl3O2/c7-1-5(8)3-11-4-6(9)2-10/h1,4,10H,2-3H2.
What are the key properties of 2-chloro-3-(2,3-dichloroprop-2-enoxy)prop-2-en-1-ol?
2-chloro-3-(2,3-dichloroprop-2-enoxy)prop-2-en-1-ol has a molecular weight of 217.48 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2,3-dichloroprop-2-enoxy)prop-2-en-1-ol is sourced from PubChem (CID 57116502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).