4-[(1E)-3-ethoxybuta-1,3-dienyl]-2-fluoro-1-phenylmethoxybenzene

C19H19FO2 — CID 89319085

IUPAC4-[(1E)-3-ethoxybuta-1,3-dienyl]-2-fluoro-1-phenylmethoxybenzene
SMILESC=C(/C=C/c1ccc(OCc2ccccc2)c(F)c1)OCC
InChIInChI=1S/C19H19FO2/c1-3-21-15(2)9-10-16-11-12-19(18(20)13-16)22-14-17-7-5-4-6-8-17/h4-13H,2-3,14H2,1H3/b10-9+
InChIKeyVUCCATITWOXCAZ-MDZDMXLPSA-N
MW298.36 g/mol
LogP4.97
Rot. Bonds7

About 4-[(1E)-3-ethoxybuta-1,3-dienyl]-2-fluoro-1-phenylmethoxybenzene

4-[(1E)-3-ethoxybuta-1,3-dienyl]-2-fluoro-1-phenylmethoxybenzene (PubChem CID 89319085) has the molecular formula C19H19FO2 and a molecular weight of 298.36 g/mol. Its IUPAC name is 4-[(1E)-3-ethoxybuta-1,3-dienyl]-2-fluoro-1-phenylmethoxybenzene.

Molecular Properties

Compound Name4-[(1E)-3-ethoxybuta-1,3-dienyl]-2-fluoro-1-phenylmethoxybenzene
PubChem CID89319085
Molecular FormulaC19H19FO2
Molecular Weight298.36 g/mol
Exact Mass298.14
IUPAC Name4-[(1E)-3-ethoxybuta-1,3-dienyl]-2-fluoro-1-phenylmethoxybenzene
SMILESC=C(/C=C/c1ccc(OCc2ccccc2)c(F)c1)OCC
InChIInChI=1S/C19H19FO2/c1-3-21-15(2)9-10-16-11-12-19(18(20)13-16)22-14-17-7-5-4-6-8-17/h4-13H,2-3,14H2,1H3/b10-9+
InChIKeyVUCCATITWOXCAZ-MDZDMXLPSA-N
XLogP4.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

4-[(1E)-3-ethoxybuta-1,3-dienyl]-2-methyl-1-phenylmethoxybenzene
CID 89319080
ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 54167741
ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 92840869
(Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 2478599
ethyl 2-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoacetate
CID 117486957
(E)-3-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enoic acid
CID 107692327
1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90367929
3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
CID 169454327
(E)-6-[3,4-bis(phenylmethoxy)phenyl]-3-methylhex-5-ene-2,4-dione
CID 123400181
3-[4-[(2-fluorophenoxy)methyl]phenyl]prop-2-enoic acid
CID 76908430
(E)-4-(4-fluoro-3-hydroxyphenyl)-1-(2-phenylmethoxyphenyl)but-3-en-2-one
CID 162168927
3-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 22684129

Frequently Asked Questions

What is the IUPAC name of 4-[(1E)-3-ethoxybuta-1,3-dienyl]-2-fluoro-1-phenylmethoxybenzene?
The IUPAC name of 4-[(1E)-3-ethoxybuta-1,3-dienyl]-2-fluoro-1-phenylmethoxybenzene (CID 89319085) is 4-[(1E)-3-ethoxybuta-1,3-dienyl]-2-fluoro-1-phenylmethoxybenzene.
What is the SMILES notation for 4-[(1E)-3-ethoxybuta-1,3-dienyl]-2-fluoro-1-phenylmethoxybenzene?
The canonical SMILES for 4-[(1E)-3-ethoxybuta-1,3-dienyl]-2-fluoro-1-phenylmethoxybenzene is C=C(/C=C/c1ccc(OCc2ccccc2)c(F)c1)OCC.
What is the InChIKey of 4-[(1E)-3-ethoxybuta-1,3-dienyl]-2-fluoro-1-phenylmethoxybenzene?
The InChIKey is VUCCATITWOXCAZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H19FO2/c1-3-21-15(2)9-10-16-11-12-19(18(20)13-16)22-14-17-7-5-4-6-8-17/h4-13H,2-3,14H2,1H3/b10-9+.
What are the key properties of 4-[(1E)-3-ethoxybuta-1,3-dienyl]-2-fluoro-1-phenylmethoxybenzene?
4-[(1E)-3-ethoxybuta-1,3-dienyl]-2-fluoro-1-phenylmethoxybenzene has a molecular weight of 298.36 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E)-3-ethoxybuta-1,3-dienyl]-2-fluoro-1-phenylmethoxybenzene is sourced from PubChem (CID 89319085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).