1-fluoro-4-[(3E,5Z)-6-methoxy-6-phenylhexa-3,5-dien-2-yl]benzene

C19H19FO — CID 164677428

IUPAC1-fluoro-4-[(3E,5Z)-6-methoxy-6-phenylhexa-3,5-dien-2-yl]benzene
SMILESCO/C(=C\C=C\C(C)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H19FO/c1-15(16-11-13-18(20)14-12-16)7-6-10-19(21-2)17-8-4-3-5-9-17/h3-15H,1-2H3/b7-6+,19-10-
InChIKeyVTKIWEIIBPAUAB-XAUAACNYSA-N
MW282.36 g/mol
LogP5.17
Rot. Bonds5

About 1-fluoro-4-[(3E,5Z)-6-methoxy-6-phenylhexa-3,5-dien-2-yl]benzene

1-fluoro-4-[(3E,5Z)-6-methoxy-6-phenylhexa-3,5-dien-2-yl]benzene (PubChem CID 164677428) has the molecular formula C19H19FO and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-fluoro-4-[(3E,5Z)-6-methoxy-6-phenylhexa-3,5-dien-2-yl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(3E,5Z)-6-methoxy-6-phenylhexa-3,5-dien-2-yl]benzene
PubChem CID164677428
Molecular FormulaC19H19FO
Molecular Weight282.36 g/mol
Exact Mass282.14
IUPAC Name1-fluoro-4-[(3E,5Z)-6-methoxy-6-phenylhexa-3,5-dien-2-yl]benzene
SMILESCO/C(=C\C=C\C(C)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H19FO/c1-15(16-11-13-18(20)14-12-16)7-6-10-19(21-2)17-8-4-3-5-9-17/h3-15H,1-2H3/b7-6+,19-10-
InChIKeyVTKIWEIIBPAUAB-XAUAACNYSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.36
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Bis(1-phenylethyl) ether
CID 62342
2,2-Diphenyltetrahydrofuran
CID 70175
Methyl trityl ether
CID 136388
Ethyl trityl ether
CID 294563
2H-Pyran, tetrahydro-4-methyl-2-phenyl-, (2R,4S)-rel-
CID 15640305
2H-Pyran, tetrahydro-4-methyl-2-phenyl-, (2R,4R)-rel-
CID 15640306
tetrahydro-4-methyl-2-phenyl-2H-pyran
CID 3024003
1,1'-(Dimethoxymethylene)bisbenzene
CID 75228
Benzene, 1,1'-(methoxymethylene)bis-
CID 219159
Methyl cumyl ether
CID 70289
4,4-Bis(methoxymethyl)biphenyl
CID 1519430
2,2-Diphenyloxirane
CID 93564

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(3E,5Z)-6-methoxy-6-phenylhexa-3,5-dien-2-yl]benzene?
The IUPAC name of 1-fluoro-4-[(3E,5Z)-6-methoxy-6-phenylhexa-3,5-dien-2-yl]benzene (CID 164677428) is 1-fluoro-4-[(3E,5Z)-6-methoxy-6-phenylhexa-3,5-dien-2-yl]benzene.
What is the SMILES notation for 1-fluoro-4-[(3E,5Z)-6-methoxy-6-phenylhexa-3,5-dien-2-yl]benzene?
The canonical SMILES for 1-fluoro-4-[(3E,5Z)-6-methoxy-6-phenylhexa-3,5-dien-2-yl]benzene is CO/C(=C\C=C\C(C)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 1-fluoro-4-[(3E,5Z)-6-methoxy-6-phenylhexa-3,5-dien-2-yl]benzene?
The InChIKey is VTKIWEIIBPAUAB-XAUAACNYSA-N. The full InChI is InChI=1S/C19H19FO/c1-15(16-11-13-18(20)14-12-16)7-6-10-19(21-2)17-8-4-3-5-9-17/h3-15H,1-2H3/b7-6+,19-10-.
What are the key properties of 1-fluoro-4-[(3E,5Z)-6-methoxy-6-phenylhexa-3,5-dien-2-yl]benzene?
1-fluoro-4-[(3E,5Z)-6-methoxy-6-phenylhexa-3,5-dien-2-yl]benzene has a molecular weight of 282.36 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(3E,5Z)-6-methoxy-6-phenylhexa-3,5-dien-2-yl]benzene is sourced from PubChem (CID 164677428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).