1-methoxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethoxy)benzene

C16H13F3O2 — CID 141369705

IUPAC1-methoxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethoxy)benzene
SMILESCOc1ccc(OC(F)(F)F)cc1/C=C/c1ccccc1
InChIInChI=1S/C16H13F3O2/c1-20-15-10-9-14(21-16(17,18)19)11-13(15)8-7-12-5-3-2-4-6-12/h2-11H,1H3/b8-7+
InChIKeyVLCIKYBYCFZAKL-BQYQJAHWSA-N
MW294.27 g/mol
LogP4.76
Rot. Bonds4

About 1-methoxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethoxy)benzene

1-methoxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethoxy)benzene (PubChem CID 141369705) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 1-methoxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-methoxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethoxy)benzene
PubChem CID141369705
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name1-methoxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethoxy)benzene
SMILESCOc1ccc(OC(F)(F)F)cc1/C=C/c1ccccc1
InChIInChI=1S/C16H13F3O2/c1-20-15-10-9-14(21-16(17,18)19)11-13(15)8-7-12-5-3-2-4-6-12/h2-11H,1H3/b8-7+
InChIKeyVLCIKYBYCFZAKL-BQYQJAHWSA-N
XLogP4.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 54.76
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-(2-phenylethenyl)-4-(trifluoromethoxy)benzene
CID 138115533
(NZ)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
CID 26596685
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1-methylpyridin-1-ium iodide
CID 171668959
4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]pyridine
CID 144798319
1-fluoro-4,5-dimethoxy-2-(2-phenylethenyl)benzene
CID 174823899
3-[2,4-dimethoxy-6-(2-phenylethenyl)phenyl]-3-(trifluoromethyl)diazirine
CID 140695800
[2-methoxy-5-(trifluoromethoxy)phenyl]azanide
CID 158966007
1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene
CID 23625072
1,2,3-trimethoxy-4-[(E)-2-phenylethenyl]benzene
CID 15696375
1,2,3-trimethoxy-4-(2-phenylethenyl)benzene
CID 53422272
4-methoxy-N-(pyridin-4-ylmethyl)-3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzamide
CID 23141454

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-methoxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethoxy)benzene (CID 141369705) is 1-methoxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-methoxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-methoxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethoxy)benzene is COc1ccc(OC(F)(F)F)cc1/C=C/c1ccccc1.
What is the InChIKey of 1-methoxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethoxy)benzene?
The InChIKey is VLCIKYBYCFZAKL-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H13F3O2/c1-20-15-10-9-14(21-16(17,18)19)11-13(15)8-7-12-5-3-2-4-6-12/h2-11H,1H3/b8-7+.
What are the key properties of 1-methoxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethoxy)benzene?
1-methoxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethoxy)benzene has a molecular weight of 294.27 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 141369705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).