3-methoxy-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol

C16H13F3O2 — CID 146557321

IUPAC3-methoxy-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol
SMILESCOc1cc(O)cc(/C=C/c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H13F3O2/c1-21-15-9-12(8-14(20)10-15)6-5-11-3-2-4-13(7-11)16(17,18)19/h2-10,20H,1H3/b6-5+
InChIKeyHHBARKANWLYZQD-AATRIKPKSA-N
MW294.27 g/mol
LogP4.59
Rot. Bonds3

About 3-methoxy-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol

3-methoxy-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol (PubChem CID 146557321) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 3-methoxy-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol.

Molecular Properties

Compound Name3-methoxy-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol
PubChem CID146557321
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name3-methoxy-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol
SMILESCOc1cc(O)cc(/C=C/c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H13F3O2/c1-21-15-9-12(8-14(20)10-15)6-5-11-3-2-4-13(7-11)16(17,18)19/h2-10,20H,1H3/b6-5+
InChIKeyHHBARKANWLYZQD-AATRIKPKSA-N
XLogP4.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 53310694
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol
CID 159204290
3-(trifluoromethoxy)-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122475563
3-[(E)-2-(2-hydroxyphenyl)ethenyl]-5-methoxyphenol
CID 102318988
methyl (Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 5314584
(Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one
CID 23274083
3-methoxy-5-[(E)-2-(3-methoxyphenoxy)ethenyl]phenol
CID 24866672
3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122476067
(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl chloride
CID 5375564
3,5-dichloro-4-[(Z)-2-(3-methoxyphenyl)ethenyl]phenol
CID 101118974
3-[3-(trifluoromethyl)phenyl]prop-2-enyl methanesulfonate
CID 91411558

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol?
The IUPAC name of 3-methoxy-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol (CID 146557321) is 3-methoxy-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol.
What is the SMILES notation for 3-methoxy-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol?
The canonical SMILES for 3-methoxy-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol is COc1cc(O)cc(/C=C/c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-methoxy-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol?
The InChIKey is HHBARKANWLYZQD-AATRIKPKSA-N. The full InChI is InChI=1S/C16H13F3O2/c1-21-15-9-12(8-14(20)10-15)6-5-11-3-2-4-13(7-11)16(17,18)19/h2-10,20H,1H3/b6-5+.
What are the key properties of 3-methoxy-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol?
3-methoxy-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol has a molecular weight of 294.27 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol is sourced from PubChem (CID 146557321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).