1,3-dichloro-5-[(E)-2-(3-methoxyphenyl)ethenyl]benzene

C15H12Cl2O — CID 11208222

IUPAC1,3-dichloro-5-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
SMILESCOc1cccc(/C=C/c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C15H12Cl2O/c1-18-15-4-2-3-11(9-15)5-6-12-7-13(16)10-14(17)8-12/h2-10H,1H3/b6-5+
InChIKeyDKEUZBJTDBIIIQ-AATRIKPKSA-N
MW279.17 g/mol
LogP5.17
Rot. Bonds3

About 1,3-dichloro-5-[(E)-2-(3-methoxyphenyl)ethenyl]benzene

1,3-dichloro-5-[(E)-2-(3-methoxyphenyl)ethenyl]benzene (PubChem CID 11208222) has the molecular formula C15H12Cl2O and a molecular weight of 279.17 g/mol. Its IUPAC name is 1,3-dichloro-5-[(E)-2-(3-methoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-5-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
PubChem CID11208222
Molecular FormulaC15H12Cl2O
Molecular Weight279.17 g/mol
Exact Mass278.03
IUPAC Name1,3-dichloro-5-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
SMILESCOc1cccc(/C=C/c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C15H12Cl2O/c1-18-15-4-2-3-11(9-15)5-6-12-7-13(16)10-14(17)8-12/h2-10H,1H3/b6-5+
InChIKeyDKEUZBJTDBIIIQ-AATRIKPKSA-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

3-Phenoxybenzyl chloride
CID 93291
1-Chloro-2-methoxy-4-methylbenzene
CID 99352
4-Chloro-2-methylanisole
CID 76748
Benzene, 1-chloro-4-(phenylmethoxy)-
CID 139062
1-Chloro-4-methoxy-2-methylbenzene
CID 458156
1,3-dichloro-5-[(1E)-2-(4-methoxyphenyl)ethenyl]-benzene
CID 10062125
1,3-dichloro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
CID 11414783
3-Methoxybenzyl chloride
CID 69994
3-Chloro-4-methoxytoluene
CID 140873
1,3-dichloro-5-[(Z)-2-(3-methoxyphenyl)ethenyl]benzene
CID 11391816
1-chloro-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 6110518
1-Methoxy-3-[(E)-2-phenylethenyl]benzene
CID 5375954

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-[(E)-2-(3-methoxyphenyl)ethenyl]benzene?
The IUPAC name of 1,3-dichloro-5-[(E)-2-(3-methoxyphenyl)ethenyl]benzene (CID 11208222) is 1,3-dichloro-5-[(E)-2-(3-methoxyphenyl)ethenyl]benzene.
What is the SMILES notation for 1,3-dichloro-5-[(E)-2-(3-methoxyphenyl)ethenyl]benzene?
The canonical SMILES for 1,3-dichloro-5-[(E)-2-(3-methoxyphenyl)ethenyl]benzene is COc1cccc(/C=C/c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 1,3-dichloro-5-[(E)-2-(3-methoxyphenyl)ethenyl]benzene?
The InChIKey is DKEUZBJTDBIIIQ-AATRIKPKSA-N. The full InChI is InChI=1S/C15H12Cl2O/c1-18-15-4-2-3-11(9-15)5-6-12-7-13(16)10-14(17)8-12/h2-10H,1H3/b6-5+.
What are the key properties of 1,3-dichloro-5-[(E)-2-(3-methoxyphenyl)ethenyl]benzene?
1,3-dichloro-5-[(E)-2-(3-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 1,3-dichloro-5-[(E)-2-(3-methoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 11208222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).