1-(diethoxymethyl)-3-[(4-fluorophenyl)methoxy]benzene

C18H21FO3 — CID 146004732

IUPAC1-(diethoxymethyl)-3-[(4-fluorophenyl)methoxy]benzene
SMILESCCOC(OCC)c1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C18H21FO3/c1-3-20-18(21-4-2)15-6-5-7-17(12-15)22-13-14-8-10-16(19)11-9-14/h5-12,18H,3-4,13H2,1-2H3
InChIKeyTYNXSXUFTMCMID-UHFFFAOYSA-N
MW304.36 g/mol
LogP4.48
Rot. Bonds8

About 1-(diethoxymethyl)-3-[(4-fluorophenyl)methoxy]benzene

1-(diethoxymethyl)-3-[(4-fluorophenyl)methoxy]benzene (PubChem CID 146004732) has the molecular formula C18H21FO3 and a molecular weight of 304.36 g/mol. Its IUPAC name is 1-(diethoxymethyl)-3-[(4-fluorophenyl)methoxy]benzene.

Molecular Properties

Compound Name1-(diethoxymethyl)-3-[(4-fluorophenyl)methoxy]benzene
PubChem CID146004732
Molecular FormulaC18H21FO3
Molecular Weight304.36 g/mol
Exact Mass304.15
IUPAC Name1-(diethoxymethyl)-3-[(4-fluorophenyl)methoxy]benzene
SMILESCCOC(OCC)c1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C18H21FO3/c1-3-20-18(21-4-2)15-6-5-7-17(12-15)22-13-14-8-10-16(19)11-9-14/h5-12,18H,3-4,13H2,1-2H3
InChIKeyTYNXSXUFTMCMID-UHFFFAOYSA-N
XLogP4.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-4-[(3-methoxyphenoxy)methyl]benzene
CID 59165653
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
4-ethoxy-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126125748
trifluoro-[3-[(4-fluorophenyl)methoxy]phenyl]boranuide
CID 63678095
1-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 90934735
(1S)-1-[3-[(4-bromophenyl)methoxy]phenyl]ethanol
CID 78933407
(1R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethanol
CID 63364366
1-tert-butyl-3-[[3-(diethoxymethyl)phenyl]methoxy]-5-methylbenzene;ethane
CID 144776759
(1R)-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 63366566
2-[3-[(4-fluorophenyl)methoxy]phenyl]acetonitrile
CID 170886344
[(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium
CID 7046932

Frequently Asked Questions

What is the IUPAC name of 1-(diethoxymethyl)-3-[(4-fluorophenyl)methoxy]benzene?
The IUPAC name of 1-(diethoxymethyl)-3-[(4-fluorophenyl)methoxy]benzene (CID 146004732) is 1-(diethoxymethyl)-3-[(4-fluorophenyl)methoxy]benzene.
What is the SMILES notation for 1-(diethoxymethyl)-3-[(4-fluorophenyl)methoxy]benzene?
The canonical SMILES for 1-(diethoxymethyl)-3-[(4-fluorophenyl)methoxy]benzene is CCOC(OCC)c1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of 1-(diethoxymethyl)-3-[(4-fluorophenyl)methoxy]benzene?
The InChIKey is TYNXSXUFTMCMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO3/c1-3-20-18(21-4-2)15-6-5-7-17(12-15)22-13-14-8-10-16(19)11-9-14/h5-12,18H,3-4,13H2,1-2H3.
What are the key properties of 1-(diethoxymethyl)-3-[(4-fluorophenyl)methoxy]benzene?
1-(diethoxymethyl)-3-[(4-fluorophenyl)methoxy]benzene has a molecular weight of 304.36 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethoxymethyl)-3-[(4-fluorophenyl)methoxy]benzene is sourced from PubChem (CID 146004732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).