1-fluoro-3-[[(1Z,3Z)-3-methylhexa-1,3,5-trienoxy]methyl]benzene

C14H15FO — CID 142189173

IUPAC1-fluoro-3-[[(1Z,3Z)-3-methylhexa-1,3,5-trienoxy]methyl]benzene
SMILESC=C/C=C(C)\C=C/OCc1cccc(F)c1
InChIInChI=1S/C14H15FO/c1-3-5-12(2)8-9-16-11-13-6-4-7-14(15)10-13/h3-10H,1,11H2,2H3/b9-8-,12-5-
InChIKeyAXFMHOYBIZJFPH-UUBDPURSSA-N
MW218.27 g/mol
LogP3.99
Rot. Bonds5

About 1-fluoro-3-[[(1Z,3Z)-3-methylhexa-1,3,5-trienoxy]methyl]benzene

1-fluoro-3-[[(1Z,3Z)-3-methylhexa-1,3,5-trienoxy]methyl]benzene (PubChem CID 142189173) has the molecular formula C14H15FO and a molecular weight of 218.27 g/mol. Its IUPAC name is 1-fluoro-3-[[(1Z,3Z)-3-methylhexa-1,3,5-trienoxy]methyl]benzene.

Molecular Properties

Compound Name1-fluoro-3-[[(1Z,3Z)-3-methylhexa-1,3,5-trienoxy]methyl]benzene
PubChem CID142189173
Molecular FormulaC14H15FO
Molecular Weight218.27 g/mol
Exact Mass218.11
IUPAC Name1-fluoro-3-[[(1Z,3Z)-3-methylhexa-1,3,5-trienoxy]methyl]benzene
SMILESC=C/C=C(C)\C=C/OCc1cccc(F)c1
InChIInChI=1S/C14H15FO/c1-3-5-12(2)8-9-16-11-13-6-4-7-14(15)10-13/h3-10H,1,11H2,2H3/b9-8-,12-5-
InChIKeyAXFMHOYBIZJFPH-UUBDPURSSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 53.99
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

N-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methoxy]prop-2-enamide
CID 91402188
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
1-(2-ethoxyethoxymethyl)-3-fluorobenzene
CID 173202169
[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]boronic acid
CID 83139837
1-[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]ethanone
CID 78906404
(3-fluorophenyl)methyl 3,3-diaminoprop-2-enoate
CID 142577915
1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397
(E)-3-[3-[(3-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 29018393
1-[2-bromo-4-[(3-fluorophenyl)methoxy]phenyl]ethanone
CID 91863532
(E)-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide
CID 22476623
1-(bromomethyl)-3-fluorobenzene;ethane
CID 90998374
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[[(1Z,3Z)-3-methylhexa-1,3,5-trienoxy]methyl]benzene?
The IUPAC name of 1-fluoro-3-[[(1Z,3Z)-3-methylhexa-1,3,5-trienoxy]methyl]benzene (CID 142189173) is 1-fluoro-3-[[(1Z,3Z)-3-methylhexa-1,3,5-trienoxy]methyl]benzene.
What is the SMILES notation for 1-fluoro-3-[[(1Z,3Z)-3-methylhexa-1,3,5-trienoxy]methyl]benzene?
The canonical SMILES for 1-fluoro-3-[[(1Z,3Z)-3-methylhexa-1,3,5-trienoxy]methyl]benzene is C=C/C=C(C)\C=C/OCc1cccc(F)c1.
What is the InChIKey of 1-fluoro-3-[[(1Z,3Z)-3-methylhexa-1,3,5-trienoxy]methyl]benzene?
The InChIKey is AXFMHOYBIZJFPH-UUBDPURSSA-N. The full InChI is InChI=1S/C14H15FO/c1-3-5-12(2)8-9-16-11-13-6-4-7-14(15)10-13/h3-10H,1,11H2,2H3/b9-8-,12-5-.
What are the key properties of 1-fluoro-3-[[(1Z,3Z)-3-methylhexa-1,3,5-trienoxy]methyl]benzene?
1-fluoro-3-[[(1Z,3Z)-3-methylhexa-1,3,5-trienoxy]methyl]benzene has a molecular weight of 218.27 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[[(1Z,3Z)-3-methylhexa-1,3,5-trienoxy]methyl]benzene is sourced from PubChem (CID 142189173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).