1-chloro-4-[[4-(5,5-dichloropent-4-enoxy)phenoxy]methyl]benzene

C18H17Cl3O2 — CID 71409019

IUPAC1-chloro-4-[[4-(5,5-dichloropent-4-enoxy)phenoxy]methyl]benzene
SMILESClC(Cl)=CCCCOc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H17Cl3O2/c19-15-6-4-14(5-7-15)13-23-17-10-8-16(9-11-17)22-12-2-1-3-18(20)21/h3-11H,1-2,12-13H2
InChIKeyPTAIKKWHEPDSET-UHFFFAOYSA-N
MW371.69 g/mol
LogP6.40
Rot. Bonds8

About 1-chloro-4-[[4-(5,5-dichloropent-4-enoxy)phenoxy]methyl]benzene

1-chloro-4-[[4-(5,5-dichloropent-4-enoxy)phenoxy]methyl]benzene (PubChem CID 71409019) has the molecular formula C18H17Cl3O2 and a molecular weight of 371.69 g/mol. Its IUPAC name is 1-chloro-4-[[4-(5,5-dichloropent-4-enoxy)phenoxy]methyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[[4-(5,5-dichloropent-4-enoxy)phenoxy]methyl]benzene
PubChem CID71409019
Molecular FormulaC18H17Cl3O2
Molecular Weight371.69 g/mol
Exact Mass370.03
IUPAC Name1-chloro-4-[[4-(5,5-dichloropent-4-enoxy)phenoxy]methyl]benzene
SMILESClC(Cl)=CCCCOc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H17Cl3O2/c19-15-6-4-14(5-7-15)13-23-17-10-8-16(9-11-17)22-12-2-1-3-18(20)21/h3-11H,1-2,12-13H2
InChIKeyPTAIKKWHEPDSET-UHFFFAOYSA-N
XLogP6.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.69
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[20-(4-chlorophenoxy)icos-10-enoxymethyl]benzene
CID 57214176
(NE)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 5350180
[4-[(4-chlorophenyl)methoxy]phenyl] hydrogen carbonate
CID 146594775
1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene
CID 54171722
4-[(4-chlorophenyl)methoxy]benzene-1,2-diol
CID 139941742
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one
CID 13065274
1,3-dichloro-2-[3-(4-chlorophenoxy)propoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
CID 54295507
1-[4-[(4-chlorophenoxy)methyl]phenoxy]-3-[2-[3-[4-[(4-chlorophenoxy)methyl]phenoxy]-2-oxopropoxy]ethoxy]propan-2-one
CID 57071405
1-chloro-4-[[4-(2-fluoroethoxy)phenyl]methoxymethyl]benzene
CID 13367652
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290745
1-[(4-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)naphthalene
CID 139750786

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[[4-(5,5-dichloropent-4-enoxy)phenoxy]methyl]benzene?
The IUPAC name of 1-chloro-4-[[4-(5,5-dichloropent-4-enoxy)phenoxy]methyl]benzene (CID 71409019) is 1-chloro-4-[[4-(5,5-dichloropent-4-enoxy)phenoxy]methyl]benzene.
What is the SMILES notation for 1-chloro-4-[[4-(5,5-dichloropent-4-enoxy)phenoxy]methyl]benzene?
The canonical SMILES for 1-chloro-4-[[4-(5,5-dichloropent-4-enoxy)phenoxy]methyl]benzene is ClC(Cl)=CCCCOc1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-[[4-(5,5-dichloropent-4-enoxy)phenoxy]methyl]benzene?
The InChIKey is PTAIKKWHEPDSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl3O2/c19-15-6-4-14(5-7-15)13-23-17-10-8-16(9-11-17)22-12-2-1-3-18(20)21/h3-11H,1-2,12-13H2.
What are the key properties of 1-chloro-4-[[4-(5,5-dichloropent-4-enoxy)phenoxy]methyl]benzene?
1-chloro-4-[[4-(5,5-dichloropent-4-enoxy)phenoxy]methyl]benzene has a molecular weight of 371.69 g/mol, XLogP of 6.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[[4-(5,5-dichloropent-4-enoxy)phenoxy]methyl]benzene is sourced from PubChem (CID 71409019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).