[2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-6-hydroxyphenyl] hypofluorite

C19H17FO2 — CID 143981962

IUPAC[2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-6-hydroxyphenyl] hypofluorite
SMILESC=C/C=C\C(=C/C)c1ccccc1-c1cccc(O)c1OF
InChIInChI=1S/C19H17FO2/c1-3-5-9-14(4-2)15-10-6-7-11-16(15)17-12-8-13-18(21)19(17)22-20/h3-13,21H,1H2,2H3/b9-5-,14-4+
InChIKeyXWXPGKWYGMKSPA-BANWFZCWSA-N
MW296.34 g/mol
LogP5.47
Rot. Bonds5

About [2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-6-hydroxyphenyl] hypofluorite

[2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-6-hydroxyphenyl] hypofluorite (PubChem CID 143981962) has the molecular formula C19H17FO2 and a molecular weight of 296.34 g/mol. Its IUPAC name is [2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-6-hydroxyphenyl] hypofluorite.

Molecular Properties

Compound Name[2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-6-hydroxyphenyl] hypofluorite
PubChem CID143981962
Molecular FormulaC19H17FO2
Molecular Weight296.34 g/mol
Exact Mass296.12
IUPAC Name[2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-6-hydroxyphenyl] hypofluorite
SMILESC=C/C=C\C(=C/C)c1ccccc1-c1cccc(O)c1OF
InChIInChI=1S/C19H17FO2/c1-3-5-9-14(4-2)15-10-6-7-11-16(15)17-12-8-13-18(21)19(17)22-20/h3-13,21H,1H2,2H3/b9-5-,14-4+
InChIKeyXWXPGKWYGMKSPA-BANWFZCWSA-N
XLogP5.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.34
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-methylaniline
CID 145370684
ethane;2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzaldehyde
CID 142175336
4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6-(4-methylphenyl)dibenzothiophene
CID 144687861
[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
CID 12628363
4-(4-bromophenyl)-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran
CID 121449415
S-[2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6-phenylphenoxy]ethyl] 2,3,3-trimethylbutanethioate
CID 144560631
ethane;9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]anthracene
CID 143808734
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]naphthalene
CID 142474091
1-(3-ethylidenehepta-1,4,6-trienyl)-4-naphthalen-1-ylnaphthalene
CID 123769075
3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2,5-dimethylthiophene
CID 131982212
(3Z,5E)-5-(2-phenylphenyl)hepta-3,5-dien-2-amine
CID 145274973
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-8-phenylnaphthalene
CID 174100337

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-6-hydroxyphenyl] hypofluorite?
The IUPAC name of [2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-6-hydroxyphenyl] hypofluorite (CID 143981962) is [2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-6-hydroxyphenyl] hypofluorite.
What is the SMILES notation for [2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-6-hydroxyphenyl] hypofluorite?
The canonical SMILES for [2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-6-hydroxyphenyl] hypofluorite is C=C/C=C\C(=C/C)c1ccccc1-c1cccc(O)c1OF.
What is the InChIKey of [2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-6-hydroxyphenyl] hypofluorite?
The InChIKey is XWXPGKWYGMKSPA-BANWFZCWSA-N. The full InChI is InChI=1S/C19H17FO2/c1-3-5-9-14(4-2)15-10-6-7-11-16(15)17-12-8-13-18(21)19(17)22-20/h3-13,21H,1H2,2H3/b9-5-,14-4+.
What are the key properties of [2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-6-hydroxyphenyl] hypofluorite?
[2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-6-hydroxyphenyl] hypofluorite has a molecular weight of 296.34 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-6-hydroxyphenyl] hypofluorite is sourced from PubChem (CID 143981962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).