1-chloro-4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]benzene

C17H16Cl2O2 — CID 25215632

IUPAC1-chloro-4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]benzene
SMILESC=CC(OCc1ccc(Cl)cc1)OCc1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2O2/c1-2-17(20-11-13-3-7-15(18)8-4-13)21-12-14-5-9-16(19)10-6-14/h2-10,17H,1,11-12H2
InChIKeyACLMPZAHQHGNNZ-UHFFFAOYSA-N
MW323.22 g/mol
LogP5.24
Rot. Bonds7

About 1-chloro-4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]benzene

1-chloro-4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]benzene (PubChem CID 25215632) has the molecular formula C17H16Cl2O2 and a molecular weight of 323.22 g/mol. Its IUPAC name is 1-chloro-4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]benzene
PubChem CID25215632
Molecular FormulaC17H16Cl2O2
Molecular Weight323.22 g/mol
Exact Mass322.05
IUPAC Name1-chloro-4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]benzene
SMILESC=CC(OCc1ccc(Cl)cc1)OCc1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2O2/c1-2-17(20-11-13-3-7-15(18)8-4-13)21-12-14-5-9-16(19)10-6-14/h2-10,17H,1,11-12H2
InChIKeyACLMPZAHQHGNNZ-UHFFFAOYSA-N
XLogP5.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.22
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]benzene?
The IUPAC name of 1-chloro-4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]benzene (CID 25215632) is 1-chloro-4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]benzene.
What is the SMILES notation for 1-chloro-4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]benzene?
The canonical SMILES for 1-chloro-4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]benzene is C=CC(OCc1ccc(Cl)cc1)OCc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]benzene?
The InChIKey is ACLMPZAHQHGNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O2/c1-2-17(20-11-13-3-7-15(18)8-4-13)21-12-14-5-9-16(19)10-6-14/h2-10,17H,1,11-12H2.
What are the key properties of 1-chloro-4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]benzene?
1-chloro-4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]benzene has a molecular weight of 323.22 g/mol, XLogP of 5.24, 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-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]benzene is sourced from PubChem (CID 25215632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).