2,4-dichloro-1-(1-chloro-3-methylbut-1-en-2-yl)oxybenzene

C11H11Cl3O — CID 54454428

IUPAC2,4-dichloro-1-(1-chloro-3-methylbut-1-en-2-yl)oxybenzene
SMILESCC(C)C(=CCl)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl3O/c1-7(2)11(6-12)15-10-4-3-8(13)5-9(10)14/h3-7H,1-2H3
InChIKeyWXEGPPNLKRAJSJ-UHFFFAOYSA-N
MW265.57 g/mol
LogP5.11
Rot. Bonds3

About 2,4-dichloro-1-(1-chloro-3-methylbut-1-en-2-yl)oxybenzene

2,4-dichloro-1-(1-chloro-3-methylbut-1-en-2-yl)oxybenzene (PubChem CID 54454428) has the molecular formula C11H11Cl3O and a molecular weight of 265.57 g/mol. Its IUPAC name is 2,4-dichloro-1-(1-chloro-3-methylbut-1-en-2-yl)oxybenzene.

Molecular Properties

Compound Name2,4-dichloro-1-(1-chloro-3-methylbut-1-en-2-yl)oxybenzene
PubChem CID54454428
Molecular FormulaC11H11Cl3O
Molecular Weight265.57 g/mol
Exact Mass263.99
IUPAC Name2,4-dichloro-1-(1-chloro-3-methylbut-1-en-2-yl)oxybenzene
SMILESCC(C)C(=CCl)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl3O/c1-7(2)11(6-12)15-10-4-3-8(13)5-9(10)14/h3-7H,1-2H3
InChIKeyWXEGPPNLKRAJSJ-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.57
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-1-(1-chloro-3,3-dimethylpenta-1,4-dien-2-yl)oxybenzene
CID 54326244
1-O-(2,4-dichlorophenyl) 4-O-(3-methylbutan-2-yl) (E)-but-2-enedioate
CID 91701225
(2,4-dichlorophenyl) pent-3-enoate
CID 174799390
3-(2,4-dichlorophenoxy)but-2-enoic acid
CID 139622057
3-(2,4-dichlorophenoxy)but-2-enoyl chloride
CID 139622060
bis(2,4-dichlorophenyl) pentanedioate
CID 91739168
2-(2,4-dichlorophenoxy)propanoyl chloride
CID 14303380
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
N-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2939243
dichloro(oxo)phosphanium;bis(1-(2,4-dichlorophenoxy)ethanol)
CID 88780474
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
1-(2,4-dichlorophenoxy)propan-1-ol
CID 3017057

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-(1-chloro-3-methylbut-1-en-2-yl)oxybenzene?
The IUPAC name of 2,4-dichloro-1-(1-chloro-3-methylbut-1-en-2-yl)oxybenzene (CID 54454428) is 2,4-dichloro-1-(1-chloro-3-methylbut-1-en-2-yl)oxybenzene.
What is the SMILES notation for 2,4-dichloro-1-(1-chloro-3-methylbut-1-en-2-yl)oxybenzene?
The canonical SMILES for 2,4-dichloro-1-(1-chloro-3-methylbut-1-en-2-yl)oxybenzene is CC(C)C(=CCl)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-(1-chloro-3-methylbut-1-en-2-yl)oxybenzene?
The InChIKey is WXEGPPNLKRAJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3O/c1-7(2)11(6-12)15-10-4-3-8(13)5-9(10)14/h3-7H,1-2H3.
What are the key properties of 2,4-dichloro-1-(1-chloro-3-methylbut-1-en-2-yl)oxybenzene?
2,4-dichloro-1-(1-chloro-3-methylbut-1-en-2-yl)oxybenzene has a molecular weight of 265.57 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-(1-chloro-3-methylbut-1-en-2-yl)oxybenzene is sourced from PubChem (CID 54454428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).