1,2,3,4,5-pentachloro-6-[(4-ethenylphenyl)methoxy]benzene

C15H9Cl5O — CID 14232060

IUPAC1,2,3,4,5-pentachloro-6-[(4-ethenylphenyl)methoxy]benzene
SMILESC=Cc1ccc(COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1
InChIInChI=1S/C15H9Cl5O/c1-2-8-3-5-9(6-4-8)7-21-15-13(19)11(17)10(16)12(18)14(15)20/h2-6H,1,7H2
InChIKeyIMRMSEGLKHJYNP-UHFFFAOYSA-N
MW382.50 g/mol
LogP7.18
Rot. Bonds4

About 1,2,3,4,5-pentachloro-6-[(4-ethenylphenyl)methoxy]benzene

1,2,3,4,5-pentachloro-6-[(4-ethenylphenyl)methoxy]benzene (PubChem CID 14232060) has the molecular formula C15H9Cl5O and a molecular weight of 382.50 g/mol. Its IUPAC name is 1,2,3,4,5-pentachloro-6-[(4-ethenylphenyl)methoxy]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentachloro-6-[(4-ethenylphenyl)methoxy]benzene
PubChem CID14232060
Molecular FormulaC15H9Cl5O
Molecular Weight382.50 g/mol
Exact Mass379.91
IUPAC Name1,2,3,4,5-pentachloro-6-[(4-ethenylphenyl)methoxy]benzene
SMILESC=Cc1ccc(COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1
InChIInChI=1S/C15H9Cl5O/c1-2-8-3-5-9(6-4-8)7-21-15-13(19)11(17)10(16)12(18)14(15)20/h2-6H,1,7H2
InChIKeyIMRMSEGLKHJYNP-UHFFFAOYSA-N
XLogP7.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentachloro-6-[(4-ethenylphenyl)methoxy]benzene?
The IUPAC name of 1,2,3,4,5-pentachloro-6-[(4-ethenylphenyl)methoxy]benzene (CID 14232060) is 1,2,3,4,5-pentachloro-6-[(4-ethenylphenyl)methoxy]benzene.
What is the SMILES notation for 1,2,3,4,5-pentachloro-6-[(4-ethenylphenyl)methoxy]benzene?
The canonical SMILES for 1,2,3,4,5-pentachloro-6-[(4-ethenylphenyl)methoxy]benzene is C=Cc1ccc(COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1.
What is the InChIKey of 1,2,3,4,5-pentachloro-6-[(4-ethenylphenyl)methoxy]benzene?
The InChIKey is IMRMSEGLKHJYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl5O/c1-2-8-3-5-9(6-4-8)7-21-15-13(19)11(17)10(16)12(18)14(15)20/h2-6H,1,7H2.
What are the key properties of 1,2,3,4,5-pentachloro-6-[(4-ethenylphenyl)methoxy]benzene?
1,2,3,4,5-pentachloro-6-[(4-ethenylphenyl)methoxy]benzene has a molecular weight of 382.50 g/mol, XLogP of 7.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentachloro-6-[(4-ethenylphenyl)methoxy]benzene is sourced from PubChem (CID 14232060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).