5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-1,2,3-trimethoxybenzene

C18H18F2O4 — CID 137454170

IUPAC5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-1,2,3-trimethoxybenzene
SMILESCOc1cc(/C=C\c2ccc(OC(F)F)cc2)cc(OC)c1OC
InChIInChI=1S/C18H18F2O4/c1-21-15-10-13(11-16(22-2)17(15)23-3)5-4-12-6-8-14(9-7-12)24-18(19)20/h4-11,18H,1-3H3/b5-4-
InChIKeyUAABLFUWGRFUEX-PLNGDYQASA-N
MW336.33 g/mol
LogP4.48
Rot. Bonds7

About 5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-1,2,3-trimethoxybenzene

5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-1,2,3-trimethoxybenzene (PubChem CID 137454170) has the molecular formula C18H18F2O4 and a molecular weight of 336.33 g/mol. Its IUPAC name is 5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-1,2,3-trimethoxybenzene
PubChem CID137454170
Molecular FormulaC18H18F2O4
Molecular Weight336.33 g/mol
Exact Mass336.12
IUPAC Name5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-1,2,3-trimethoxybenzene
SMILESCOc1cc(/C=C\c2ccc(OC(F)F)cc2)cc(OC)c1OC
InChIInChI=1S/C18H18F2O4/c1-21-15-10-13(11-16(22-2)17(15)23-3)5-4-12-6-8-14(9-7-12)24-18(19)20/h4-11,18H,1-3H3/b5-4-
InChIKeyUAABLFUWGRFUEX-PLNGDYQASA-N
XLogP4.48
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[4-(difluoromethoxy)phenyl]ethyl]-1,2,3-trimethoxybenzene
CID 137454177
1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene
CID 155816049
5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 59348795
5-[2-(4-butoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 86208123
5-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 175460440
[2-(difluoromethoxy)-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy] dihydrogen phosphate
CID 91497115
1,2,3-trimethoxy-5-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 6296346
1,2,3,4,5-pentabromo-6-[2-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]ethenyl]benzene
CID 141245082
N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 54188943
CID 59087049
CID 59087049
5-[(E)-2-[4-(bromomethyl)phenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 102253112
4-[2-(3,5-dimethoxyphenyl)ethenyl]-N-[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-N-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]aniline
CID 77387181

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-1,2,3-trimethoxybenzene?
The IUPAC name of 5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-1,2,3-trimethoxybenzene (CID 137454170) is 5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-1,2,3-trimethoxybenzene.
What is the SMILES notation for 5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-1,2,3-trimethoxybenzene?
The canonical SMILES for 5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-1,2,3-trimethoxybenzene is COc1cc(/C=C\c2ccc(OC(F)F)cc2)cc(OC)c1OC.
What is the InChIKey of 5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-1,2,3-trimethoxybenzene?
The InChIKey is UAABLFUWGRFUEX-PLNGDYQASA-N. The full InChI is InChI=1S/C18H18F2O4/c1-21-15-10-13(11-16(22-2)17(15)23-3)5-4-12-6-8-14(9-7-12)24-18(19)20/h4-11,18H,1-3H3/b5-4-.
What are the key properties of 5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-1,2,3-trimethoxybenzene?
5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-1,2,3-trimethoxybenzene has a molecular weight of 336.33 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-1,2,3-trimethoxybenzene is sourced from PubChem (CID 137454170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).