1,3-dichloro-5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzene

C16H14Cl2O2 — CID 125465485

IUPAC1,3-dichloro-5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C/c2c(Cl)cc(OC)cc2Cl)cc1
InChIInChI=1S/C16H14Cl2O2/c1-19-12-6-3-11(4-7-12)5-8-14-15(17)9-13(20-2)10-16(14)18/h3-10H,1-2H3/b8-5+
InChIKeySXCKZGGNDTVXFO-VMPITWQZSA-N
MW309.19 g/mol
LogP5.18
Rot. Bonds4

About 1,3-dichloro-5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzene

1,3-dichloro-5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzene (PubChem CID 125465485) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is 1,3-dichloro-5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
PubChem CID125465485
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name1,3-dichloro-5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C/c2c(Cl)cc(OC)cc2Cl)cc1
InChIInChI=1S/C16H14Cl2O2/c1-19-12-6-3-11(4-7-12)5-8-14-15(17)9-13(20-2)10-16(14)18/h3-10H,1-2H3/b8-5+
InChIKeySXCKZGGNDTVXFO-VMPITWQZSA-N
XLogP5.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.19
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
1,2-dichloro-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 122615244
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
2-[2-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene
CID 69464209
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
2,4-dibromo-1,5-dimethoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 59502123
methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol
CID 159204290
3,5-dichloro-4-[(Z)-2-(3-methoxyphenyl)ethenyl]phenol
CID 101118974
4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene
CID 10999067
4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
CID 102018921
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-dimethylpyridine
CID 102336030
(E)-3-(2,6-dichloro-4-methoxyphenyl)prop-2-enoic acid
CID 99769967

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The IUPAC name of 1,3-dichloro-5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzene (CID 125465485) is 1,3-dichloro-5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzene.
What is the SMILES notation for 1,3-dichloro-5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The canonical SMILES for 1,3-dichloro-5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzene is COc1ccc(/C=C/c2c(Cl)cc(OC)cc2Cl)cc1.
What is the InChIKey of 1,3-dichloro-5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The InChIKey is SXCKZGGNDTVXFO-VMPITWQZSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c1-19-12-6-3-11(4-7-12)5-8-14-15(17)9-13(20-2)10-16(14)18/h3-10H,1-2H3/b8-5+.
What are the key properties of 1,3-dichloro-5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
1,3-dichloro-5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzene has a molecular weight of 309.19 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 125465485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).