1-chloro-4-[1-(4-chlorophenyl)-2-methoxyethenyl]benzene

C15H12Cl2O — CID 157400104

IUPAC1-chloro-4-[1-(4-chlorophenyl)-2-methoxyethenyl]benzene
SMILESCOC=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl2O/c1-18-10-15(11-2-6-13(16)7-3-11)12-4-8-14(17)9-5-12/h2-10H,1H3
InChIKeyBNAZGXKKJLLDBM-UHFFFAOYSA-N
MW279.17 g/mol
LogP5.03
Rot. Bonds3

About 1-chloro-4-[1-(4-chlorophenyl)-2-methoxyethenyl]benzene

1-chloro-4-[1-(4-chlorophenyl)-2-methoxyethenyl]benzene (PubChem CID 157400104) has the molecular formula C15H12Cl2O and a molecular weight of 279.17 g/mol. Its IUPAC name is 1-chloro-4-[1-(4-chlorophenyl)-2-methoxyethenyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[1-(4-chlorophenyl)-2-methoxyethenyl]benzene
PubChem CID157400104
Molecular FormulaC15H12Cl2O
Molecular Weight279.17 g/mol
Exact Mass278.03
IUPAC Name1-chloro-4-[1-(4-chlorophenyl)-2-methoxyethenyl]benzene
SMILESCOC=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl2O/c1-18-10-15(11-2-6-13(16)7-3-11)12-4-8-14(17)9-5-12/h2-10H,1H3
InChIKeyBNAZGXKKJLLDBM-UHFFFAOYSA-N
XLogP5.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.17
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(Z)-1-[4-(4-chloro-N-methylanilino)phenyl]-2-methoxyethenyl]-5-phenoxybenzoic acid
CID 163851693
3-(4-chlorophenyl)-2,6-dimethoxy-5-[(E)-2-methoxy-1-phenylethenyl]pyridine
CID 118672005
2-methylprop-1-enyl 4-chlorobenzoate
CID 10703694
(E)-2-[4,6-bis[(E)-1-(4-chlorophenyl)-2-hydroxyethenyl]-1,3,5-triazin-2-yl]-2-(4-chlorophenyl)ethenol
CID 135877830
methyl (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 51050269
4-chlorophenol;methoxymethane
CID 23617160
1-chloro-4-[(Z)-1-iodoprop-1-enyl]benzene
CID 154712209
1-chloro-4-(1-fluoroprop-1-enyl)benzene
CID 66592587
1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene
CID 70427275
(E)-1-(4-chlorophenyl)-4-(4-methoxyphenyl)but-2-ene-1,4-dione
CID 102100444
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
1-chloro-4-(1,2-diphenylethenyl)benzene
CID 58695106

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[1-(4-chlorophenyl)-2-methoxyethenyl]benzene?
The IUPAC name of 1-chloro-4-[1-(4-chlorophenyl)-2-methoxyethenyl]benzene (CID 157400104) is 1-chloro-4-[1-(4-chlorophenyl)-2-methoxyethenyl]benzene.
What is the SMILES notation for 1-chloro-4-[1-(4-chlorophenyl)-2-methoxyethenyl]benzene?
The canonical SMILES for 1-chloro-4-[1-(4-chlorophenyl)-2-methoxyethenyl]benzene is COC=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[1-(4-chlorophenyl)-2-methoxyethenyl]benzene?
The InChIKey is BNAZGXKKJLLDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O/c1-18-10-15(11-2-6-13(16)7-3-11)12-4-8-14(17)9-5-12/h2-10H,1H3.
What are the key properties of 1-chloro-4-[1-(4-chlorophenyl)-2-methoxyethenyl]benzene?
1-chloro-4-[1-(4-chlorophenyl)-2-methoxyethenyl]benzene has a molecular weight of 279.17 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[1-(4-chlorophenyl)-2-methoxyethenyl]benzene is sourced from PubChem (CID 157400104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).