1,2-dichloro-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene

C15H12Cl2O — CID 122615244

IUPAC1,2-dichloro-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C/c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H12Cl2O/c1-18-13-7-4-11(5-8-13)2-3-12-6-9-14(16)15(17)10-12/h2-10H,1H3/b3-2+
InChIKeyMJFAHCZYKLAWIH-NSCUHMNNSA-N
MW279.17 g/mol
LogP5.17
Rot. Bonds3

About 1,2-dichloro-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene

1,2-dichloro-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene (PubChem CID 122615244) has the molecular formula C15H12Cl2O and a molecular weight of 279.17 g/mol. Its IUPAC name is 1,2-dichloro-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
PubChem CID122615244
Molecular FormulaC15H12Cl2O
Molecular Weight279.17 g/mol
Exact Mass278.03
IUPAC Name1,2-dichloro-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C/c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H12Cl2O/c1-18-13-7-4-11(5-8-13)2-3-12-6-9-14(16)15(17)10-12/h2-10H,1H3/b3-2+
InChIKeyMJFAHCZYKLAWIH-NSCUHMNNSA-N
XLogP5.17
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 ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1,3-dichloro-5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 125465485
2-[2-(3,4-dichlorophenyl)ethenyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 3429655
1,2-dichloro-4-[(Z)-2-(4-methylphenyl)ethenyl]benzene
CID 129289672
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-dimethylpyridine
CID 102336030
4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene
CID 10999067
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 54579890
N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)methanimine
CID 958548
(E)-N-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 5404828
3,4-dichloro-N-[(4-methoxyphenyl)methylideneamino]aniline
CID 110840444

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The IUPAC name of 1,2-dichloro-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene (CID 122615244) is 1,2-dichloro-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene is COc1ccc(/C=C/c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1,2-dichloro-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The InChIKey is MJFAHCZYKLAWIH-NSCUHMNNSA-N. The full InChI is InChI=1S/C15H12Cl2O/c1-18-13-7-4-11(5-8-13)2-3-12-6-9-14(16)15(17)10-12/h2-10H,1H3/b3-2+.
What are the key properties of 1,2-dichloro-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
1,2-dichloro-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene has a molecular weight of 279.17 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 122615244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).