1-methoxy-4-[(Z)-1,1,1-trifluoro-3-(4-methoxyphenyl)but-2-en-2-yl]benzene

C18H17F3O2 — CID 10958235

IUPAC1-methoxy-4-[(Z)-1,1,1-trifluoro-3-(4-methoxyphenyl)but-2-en-2-yl]benzene
SMILESCOc1ccc(/C(C)=C(/c2ccc(OC)cc2)C(F)(F)F)cc1
InChIInChI=1S/C18H17F3O2/c1-12(13-4-8-15(22-2)9-5-13)17(18(19,20)21)14-6-10-16(23-3)11-7-14/h4-11H,1-3H3/b17-12-
InChIKeyUZLNLXJOMFRVFD-ATVHPVEESA-N
MW322.33 g/mol
LogP5.20
Rot. Bonds4

About 1-methoxy-4-[(Z)-1,1,1-trifluoro-3-(4-methoxyphenyl)but-2-en-2-yl]benzene

1-methoxy-4-[(Z)-1,1,1-trifluoro-3-(4-methoxyphenyl)but-2-en-2-yl]benzene (PubChem CID 10958235) has the molecular formula C18H17F3O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 1-methoxy-4-[(Z)-1,1,1-trifluoro-3-(4-methoxyphenyl)but-2-en-2-yl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(Z)-1,1,1-trifluoro-3-(4-methoxyphenyl)but-2-en-2-yl]benzene
PubChem CID10958235
Molecular FormulaC18H17F3O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name1-methoxy-4-[(Z)-1,1,1-trifluoro-3-(4-methoxyphenyl)but-2-en-2-yl]benzene
SMILESCOc1ccc(/C(C)=C(/c2ccc(OC)cc2)C(F)(F)F)cc1
InChIInChI=1S/C18H17F3O2/c1-12(13-4-8-15(22-2)9-5-13)17(18(19,20)21)14-6-10-16(23-3)11-7-14/h4-11H,1-3H3/b17-12-
InChIKeyUZLNLXJOMFRVFD-ATVHPVEESA-N
XLogP5.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.33
LogP ≤ 55.20
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-[(E)-1-bromo-4,4,4-trifluoro-3-(4-methoxyphenyl)but-2-en-2-yl]-4-methoxybenzene
CID 10949406
1-methyl-4-[(Z)-4,4,4-trifluoro-3-phenylbut-2-en-2-yl]benzene
CID 11747812
1-fluoro-4-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylprop-1-enyl]benzene
CID 21274917
4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]phenol
CID 71251039
1-methoxy-4-[(E)-3,3,3-trifluoro-2-phenyl-1-phenylsulfanylprop-1-enyl]benzene
CID 102466577
1-methoxy-4-[(2E,4E)-1,1,1,3,6-pentafluorohepta-2,4-dien-2-yl]benzene
CID 11358288
1-[(Z)-4-bromo-1,1,1-trifluoro-3-phenylsulfanylbut-2-en-2-yl]-4-methoxybenzene
CID 101381812
4-methoxybenzamide;2,2,2-trifluoroacetic acid
CID 23509913
1-methoxy-4-[(Z)-2-(4-methoxyphenyl)pent-2-en-3-yl]benzene
CID 13119213
2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone
CID 24726833
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
1,1,1-trifluoro-N-(4-methoxyphenyl)propan-2-imine
CID 14116536

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(Z)-1,1,1-trifluoro-3-(4-methoxyphenyl)but-2-en-2-yl]benzene?
The IUPAC name of 1-methoxy-4-[(Z)-1,1,1-trifluoro-3-(4-methoxyphenyl)but-2-en-2-yl]benzene (CID 10958235) is 1-methoxy-4-[(Z)-1,1,1-trifluoro-3-(4-methoxyphenyl)but-2-en-2-yl]benzene.
What is the SMILES notation for 1-methoxy-4-[(Z)-1,1,1-trifluoro-3-(4-methoxyphenyl)but-2-en-2-yl]benzene?
The canonical SMILES for 1-methoxy-4-[(Z)-1,1,1-trifluoro-3-(4-methoxyphenyl)but-2-en-2-yl]benzene is COc1ccc(/C(C)=C(/c2ccc(OC)cc2)C(F)(F)F)cc1.
What is the InChIKey of 1-methoxy-4-[(Z)-1,1,1-trifluoro-3-(4-methoxyphenyl)but-2-en-2-yl]benzene?
The InChIKey is UZLNLXJOMFRVFD-ATVHPVEESA-N. The full InChI is InChI=1S/C18H17F3O2/c1-12(13-4-8-15(22-2)9-5-13)17(18(19,20)21)14-6-10-16(23-3)11-7-14/h4-11H,1-3H3/b17-12-.
What are the key properties of 1-methoxy-4-[(Z)-1,1,1-trifluoro-3-(4-methoxyphenyl)but-2-en-2-yl]benzene?
1-methoxy-4-[(Z)-1,1,1-trifluoro-3-(4-methoxyphenyl)but-2-en-2-yl]benzene has a molecular weight of 322.33 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(Z)-1,1,1-trifluoro-3-(4-methoxyphenyl)but-2-en-2-yl]benzene is sourced from PubChem (CID 10958235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).