1-chloro-4-[(Z)-3-[(4-chlorophenyl)methyl]-4-methoxy-2-(methoxymethyl)but-2-enyl]benzene

C20H22Cl2O2 — CID 122214567

IUPAC1-chloro-4-[(Z)-3-[(4-chlorophenyl)methyl]-4-methoxy-2-(methoxymethyl)but-2-enyl]benzene
SMILESCOC/C(Cc1ccc(Cl)cc1)=C(\COC)Cc1ccc(Cl)cc1
InChIInChI=1S/C20H22Cl2O2/c1-23-13-17(11-15-3-7-19(21)8-4-15)18(14-24-2)12-16-5-9-20(22)10-6-16/h3-10H,11-14H2,1-2H3/b18-17-
InChIKeyWPWOFCVKYAROLA-ZCXUNETKSA-N
MW365.30 g/mol
LogP5.37
Rot. Bonds8

About 1-chloro-4-[(Z)-3-[(4-chlorophenyl)methyl]-4-methoxy-2-(methoxymethyl)but-2-enyl]benzene

1-chloro-4-[(Z)-3-[(4-chlorophenyl)methyl]-4-methoxy-2-(methoxymethyl)but-2-enyl]benzene (PubChem CID 122214567) has the molecular formula C20H22Cl2O2 and a molecular weight of 365.30 g/mol. Its IUPAC name is 1-chloro-4-[(Z)-3-[(4-chlorophenyl)methyl]-4-methoxy-2-(methoxymethyl)but-2-enyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(Z)-3-[(4-chlorophenyl)methyl]-4-methoxy-2-(methoxymethyl)but-2-enyl]benzene
PubChem CID122214567
Molecular FormulaC20H22Cl2O2
Molecular Weight365.30 g/mol
Exact Mass364.10
IUPAC Name1-chloro-4-[(Z)-3-[(4-chlorophenyl)methyl]-4-methoxy-2-(methoxymethyl)but-2-enyl]benzene
SMILESCOC/C(Cc1ccc(Cl)cc1)=C(\COC)Cc1ccc(Cl)cc1
InChIInChI=1S/C20H22Cl2O2/c1-23-13-17(11-15-3-7-19(21)8-4-15)18(14-24-2)12-16-5-9-20(22)10-6-16/h3-10H,11-14H2,1-2H3/b18-17-
InChIKeyWPWOFCVKYAROLA-ZCXUNETKSA-N
XLogP5.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.30
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(Z)-3-[(4-chlorophenyl)methyl]-4-methoxy-2-(methoxymethyl)but-2-enyl]benzene?
The IUPAC name of 1-chloro-4-[(Z)-3-[(4-chlorophenyl)methyl]-4-methoxy-2-(methoxymethyl)but-2-enyl]benzene (CID 122214567) is 1-chloro-4-[(Z)-3-[(4-chlorophenyl)methyl]-4-methoxy-2-(methoxymethyl)but-2-enyl]benzene.
What is the SMILES notation for 1-chloro-4-[(Z)-3-[(4-chlorophenyl)methyl]-4-methoxy-2-(methoxymethyl)but-2-enyl]benzene?
The canonical SMILES for 1-chloro-4-[(Z)-3-[(4-chlorophenyl)methyl]-4-methoxy-2-(methoxymethyl)but-2-enyl]benzene is COC/C(Cc1ccc(Cl)cc1)=C(\COC)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(Z)-3-[(4-chlorophenyl)methyl]-4-methoxy-2-(methoxymethyl)but-2-enyl]benzene?
The InChIKey is WPWOFCVKYAROLA-ZCXUNETKSA-N. The full InChI is InChI=1S/C20H22Cl2O2/c1-23-13-17(11-15-3-7-19(21)8-4-15)18(14-24-2)12-16-5-9-20(22)10-6-16/h3-10H,11-14H2,1-2H3/b18-17-.
What are the key properties of 1-chloro-4-[(Z)-3-[(4-chlorophenyl)methyl]-4-methoxy-2-(methoxymethyl)but-2-enyl]benzene?
1-chloro-4-[(Z)-3-[(4-chlorophenyl)methyl]-4-methoxy-2-(methoxymethyl)but-2-enyl]benzene has a molecular weight of 365.30 g/mol, XLogP of 5.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(Z)-3-[(4-chlorophenyl)methyl]-4-methoxy-2-(methoxymethyl)but-2-enyl]benzene is sourced from PubChem (CID 122214567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).