1-chloro-4-[1-chloro-5-(4-chlorophenoxy)-3,3-dimethylpent-1-enoxy]benzene

C19H19Cl3O2 — CID 54255953

IUPAC1-chloro-4-[1-chloro-5-(4-chlorophenoxy)-3,3-dimethylpent-1-enoxy]benzene
SMILESCC(C)(C=C(Cl)Oc1ccc(Cl)cc1)CCOc1ccc(Cl)cc1
InChIInChI=1S/C19H19Cl3O2/c1-19(2,11-12-23-16-7-3-14(20)4-8-16)13-18(22)24-17-9-5-15(21)6-10-17/h3-10,13H,11-12H2,1-2H3
InChIKeyRABTZNNDWXTTCF-UHFFFAOYSA-N
MW385.72 g/mol
LogP6.95
Rot. Bonds7

About 1-chloro-4-[1-chloro-5-(4-chlorophenoxy)-3,3-dimethylpent-1-enoxy]benzene

1-chloro-4-[1-chloro-5-(4-chlorophenoxy)-3,3-dimethylpent-1-enoxy]benzene (PubChem CID 54255953) has the molecular formula C19H19Cl3O2 and a molecular weight of 385.72 g/mol. Its IUPAC name is 1-chloro-4-[1-chloro-5-(4-chlorophenoxy)-3,3-dimethylpent-1-enoxy]benzene.

Molecular Properties

Compound Name1-chloro-4-[1-chloro-5-(4-chlorophenoxy)-3,3-dimethylpent-1-enoxy]benzene
PubChem CID54255953
Molecular FormulaC19H19Cl3O2
Molecular Weight385.72 g/mol
Exact Mass384.05
IUPAC Name1-chloro-4-[1-chloro-5-(4-chlorophenoxy)-3,3-dimethylpent-1-enoxy]benzene
SMILESCC(C)(C=C(Cl)Oc1ccc(Cl)cc1)CCOc1ccc(Cl)cc1
InChIInChI=1S/C19H19Cl3O2/c1-19(2,11-12-23-16-7-3-14(20)4-8-16)13-18(22)24-17-9-5-15(21)6-10-17/h3-10,13H,11-12H2,1-2H3
InChIKeyRABTZNNDWXTTCF-UHFFFAOYSA-N
XLogP6.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.72
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-(3-methoxy-3-methylbutoxy)benzene
CID 102974966
6-(4-chlorophenoxy)-2,2-dimethylhexanoyl chloride
CID 10039793
3-(4-chlorophenoxy)-1-iodopropane-1,1-diol
CID 138556597
4-(4-chlorophenoxy)-2,2-dimethylbutanenitrile
CID 65251873
4-(3,3-dimethyl-4-oxobutoxy)benzamide
CID 57193275
5-(4-chlorophenoxy)-1-(4-fluorophenoxy)-3,3-dimethylpentan-2-one
CID 13322877
N'-tert-butyl-N-[2-(4-chlorophenoxy)ethyl]ethane-1,2-diamine
CID 113405421
2-amino-4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]-2-methylbutan-1-ol
CID 66768430
N-[2-(4-chlorophenoxy)ethyl]-2,2-dimethylpropanamide
CID 56922590
4-[4-[2-(4-chlorophenyl)acetyl]phenoxy]-2,2-dimethylbutanoic acid
CID 146593972
4-(4-chlorophenoxy)butanehydrazide
CID 61059745
2-(4-chlorophenoxy)-N-ethylethanamine;hydrochloride
CID 75531594

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[1-chloro-5-(4-chlorophenoxy)-3,3-dimethylpent-1-enoxy]benzene?
The IUPAC name of 1-chloro-4-[1-chloro-5-(4-chlorophenoxy)-3,3-dimethylpent-1-enoxy]benzene (CID 54255953) is 1-chloro-4-[1-chloro-5-(4-chlorophenoxy)-3,3-dimethylpent-1-enoxy]benzene.
What is the SMILES notation for 1-chloro-4-[1-chloro-5-(4-chlorophenoxy)-3,3-dimethylpent-1-enoxy]benzene?
The canonical SMILES for 1-chloro-4-[1-chloro-5-(4-chlorophenoxy)-3,3-dimethylpent-1-enoxy]benzene is CC(C)(C=C(Cl)Oc1ccc(Cl)cc1)CCOc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[1-chloro-5-(4-chlorophenoxy)-3,3-dimethylpent-1-enoxy]benzene?
The InChIKey is RABTZNNDWXTTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl3O2/c1-19(2,11-12-23-16-7-3-14(20)4-8-16)13-18(22)24-17-9-5-15(21)6-10-17/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 1-chloro-4-[1-chloro-5-(4-chlorophenoxy)-3,3-dimethylpent-1-enoxy]benzene?
1-chloro-4-[1-chloro-5-(4-chlorophenoxy)-3,3-dimethylpent-1-enoxy]benzene has a molecular weight of 385.72 g/mol, XLogP of 6.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[1-chloro-5-(4-chlorophenoxy)-3,3-dimethylpent-1-enoxy]benzene is sourced from PubChem (CID 54255953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).