1,3-dimethoxy-5-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]benzene

C18H17F3O3 — CID 44563774

IUPAC1,3-dimethoxy-5-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]benzene
SMILESCOc1ccc(/C=C(/c2cc(OC)cc(OC)c2)C(F)(F)F)cc1
InChIInChI=1S/C18H17F3O3/c1-22-14-6-4-12(5-7-14)8-17(18(19,20)21)13-9-15(23-2)11-16(10-13)24-3/h4-11H,1-3H3/b17-8-
InChIKeyVDSXWZYHKXJDEQ-IUXPMGMMSA-N
MW338.33 g/mol
LogP4.82
Rot. Bonds5

About 1,3-dimethoxy-5-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]benzene

1,3-dimethoxy-5-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]benzene (PubChem CID 44563774) has the molecular formula C18H17F3O3 and a molecular weight of 338.33 g/mol. Its IUPAC name is 1,3-dimethoxy-5-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]benzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]benzene
PubChem CID44563774
Molecular FormulaC18H17F3O3
Molecular Weight338.33 g/mol
Exact Mass338.11
IUPAC Name1,3-dimethoxy-5-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]benzene
SMILESCOc1ccc(/C=C(/c2cc(OC)cc(OC)c2)C(F)(F)F)cc1
InChIInChI=1S/C18H17F3O3/c1-22-14-6-4-12(5-7-14)8-17(18(19,20)21)13-9-15(23-2)11-16(10-13)24-3/h4-11H,1-3H3/b17-8-
InChIKeyVDSXWZYHKXJDEQ-IUXPMGMMSA-N
XLogP4.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]benzene?
The IUPAC name of 1,3-dimethoxy-5-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]benzene (CID 44563774) is 1,3-dimethoxy-5-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]benzene.
What is the SMILES notation for 1,3-dimethoxy-5-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]benzene?
The canonical SMILES for 1,3-dimethoxy-5-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]benzene is COc1ccc(/C=C(/c2cc(OC)cc(OC)c2)C(F)(F)F)cc1.
What is the InChIKey of 1,3-dimethoxy-5-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]benzene?
The InChIKey is VDSXWZYHKXJDEQ-IUXPMGMMSA-N. The full InChI is InChI=1S/C18H17F3O3/c1-22-14-6-4-12(5-7-14)8-17(18(19,20)21)13-9-15(23-2)11-16(10-13)24-3/h4-11H,1-3H3/b17-8-.
What are the key properties of 1,3-dimethoxy-5-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]benzene?
1,3-dimethoxy-5-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]benzene has a molecular weight of 338.33 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]benzene is sourced from PubChem (CID 44563774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).