2-methoxy-4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenol

C15H9F5O2 — CID 87643228

IUPAC2-methoxy-4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenol
SMILESCOc1cc(/C=C/c2c(F)c(F)c(F)c(F)c2F)ccc1O
InChIInChI=1S/C15H9F5O2/c1-22-10-6-7(3-5-9(10)21)2-4-8-11(16)13(18)15(20)14(19)12(8)17/h2-6,21H,1H3/b4-2+
InChIKeyQPHSCWQMHPHSAA-DUXPYHPUSA-N
MW316.23 g/mol
LogP4.27
Rot. Bonds3

About 2-methoxy-4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenol

2-methoxy-4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenol (PubChem CID 87643228) has the molecular formula C15H9F5O2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 2-methoxy-4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenol
PubChem CID87643228
Molecular FormulaC15H9F5O2
Molecular Weight316.23 g/mol
Exact Mass316.05
IUPAC Name2-methoxy-4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenol
SMILESCOc1cc(/C=C/c2c(F)c(F)c(F)c(F)c2F)ccc1O
InChIInChI=1S/C15H9F5O2/c1-22-10-6-7(3-5-9(10)21)2-4-8-11(16)13(18)15(20)14(19)12(8)17/h2-6,21H,1H3/b4-2+
InChIKeyQPHSCWQMHPHSAA-DUXPYHPUSA-N
XLogP4.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenol
CID 91447889
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyphenol
CID 11406193
5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-fluorobenzene-1,3-diol
CID 72723769
4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol
CID 87643823
3-(4-hydroxy-3-methoxyphenyl)prop-2-enal;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
CID 172694499
4-[(E)-2-(diphosphanyl)ethenyl]-2-methoxyphenol
CID 143209626
ethane;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
CID 145227199
4-[(E)-3-hydroxybut-1-enyl]-2-methoxyphenol
CID 102548714
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,2-oxazol-5-yl]ethenyl]-2-methoxyphenol
CID 135923992
[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-eneperoxoate
CID 155779332
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-diol
CID 11793638

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenol?
The IUPAC name of 2-methoxy-4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenol (CID 87643228) is 2-methoxy-4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenol?
The canonical SMILES for 2-methoxy-4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenol is COc1cc(/C=C/c2c(F)c(F)c(F)c(F)c2F)ccc1O.
What is the InChIKey of 2-methoxy-4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenol?
The InChIKey is QPHSCWQMHPHSAA-DUXPYHPUSA-N. The full InChI is InChI=1S/C15H9F5O2/c1-22-10-6-7(3-5-9(10)21)2-4-8-11(16)13(18)15(20)14(19)12(8)17/h2-6,21H,1H3/b4-2+.
What are the key properties of 2-methoxy-4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenol?
2-methoxy-4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenol has a molecular weight of 316.23 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenol is sourced from PubChem (CID 87643228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).