3-(2,4,6-trichlorophenoxy)propyl prop-2-enoate

C12H11Cl3O3 — CID 68794724

IUPAC3-(2,4,6-trichlorophenoxy)propyl prop-2-enoate
SMILESC=CC(=O)OCCCOc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl3O3/c1-2-11(16)17-4-3-5-18-12-9(14)6-8(13)7-10(12)15/h2,6-7H,1,3-5H2
InChIKeyZCDZLKWWQCCTCN-UHFFFAOYSA-N
MW309.58 g/mol
LogP4.14
Rot. Bonds6

About 3-(2,4,6-trichlorophenoxy)propyl prop-2-enoate

3-(2,4,6-trichlorophenoxy)propyl prop-2-enoate (PubChem CID 68794724) has the molecular formula C12H11Cl3O3 and a molecular weight of 309.58 g/mol. Its IUPAC name is 3-(2,4,6-trichlorophenoxy)propyl prop-2-enoate.

Molecular Properties

Compound Name3-(2,4,6-trichlorophenoxy)propyl prop-2-enoate
PubChem CID68794724
Molecular FormulaC12H11Cl3O3
Molecular Weight309.58 g/mol
Exact Mass307.98
IUPAC Name3-(2,4,6-trichlorophenoxy)propyl prop-2-enoate
SMILESC=CC(=O)OCCCOc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl3O3/c1-2-11(16)17-4-3-5-18-12-9(14)6-8(13)7-10(12)15/h2,6-7H,1,3-5H2
InChIKeyZCDZLKWWQCCTCN-UHFFFAOYSA-N
XLogP4.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.58
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
3,5-dichloro-4-[3-(2,4,6-trichlorophenoxy)propoxy]phenol
CID 54396483
3,4,5-tris(6-prop-2-enoyloxyhexoxy)benzoic acid
CID 90240498
3-[3,6,11-tripentoxy-7,10-bis(3-prop-2-enoyloxypropoxy)triphenylen-2-yl]oxypropyl prop-2-enoate
CID 18931805
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258
6-prop-2-enoyloxyhexyl 3,5-dichloro-4-hydroxybenzoate
CID 58887314
3-carbamoyloxypropyl prop-2-enoate
CID 58831010
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
manganese(2+);bis(3,4,5-tris(11-prop-2-enoyloxyundecoxy)benzoate)
CID 100987357
5-(2,4,6-trichlorophenoxy)pentan-1-ol
CID 62229545

Frequently Asked Questions

What is the IUPAC name of 3-(2,4,6-trichlorophenoxy)propyl prop-2-enoate?
The IUPAC name of 3-(2,4,6-trichlorophenoxy)propyl prop-2-enoate (CID 68794724) is 3-(2,4,6-trichlorophenoxy)propyl prop-2-enoate.
What is the SMILES notation for 3-(2,4,6-trichlorophenoxy)propyl prop-2-enoate?
The canonical SMILES for 3-(2,4,6-trichlorophenoxy)propyl prop-2-enoate is C=CC(=O)OCCCOc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4,6-trichlorophenoxy)propyl prop-2-enoate?
The InChIKey is ZCDZLKWWQCCTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3O3/c1-2-11(16)17-4-3-5-18-12-9(14)6-8(13)7-10(12)15/h2,6-7H,1,3-5H2.
What are the key properties of 3-(2,4,6-trichlorophenoxy)propyl prop-2-enoate?
3-(2,4,6-trichlorophenoxy)propyl prop-2-enoate has a molecular weight of 309.58 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,6-trichlorophenoxy)propyl prop-2-enoate is sourced from PubChem (CID 68794724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).