[(3-fluoro-2-methylpropoxy)-diphenylmethyl]benzene

C23H23FO — CID 135011799

IUPAC[(3-fluoro-2-methylpropoxy)-diphenylmethyl]benzene
SMILESCC(CF)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23FO/c1-19(17-24)18-25-23(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19H,17-18H2,1H3
InChIKeyHEMMSBZOJKIMDY-UHFFFAOYSA-N
MW334.43 g/mol
LogP5.60
Rot. Bonds7

About [(3-fluoro-2-methylpropoxy)-diphenylmethyl]benzene

[(3-fluoro-2-methylpropoxy)-diphenylmethyl]benzene (PubChem CID 135011799) has the molecular formula C23H23FO and a molecular weight of 334.43 g/mol. Its IUPAC name is [(3-fluoro-2-methylpropoxy)-diphenylmethyl]benzene.

Molecular Properties

Compound Name[(3-fluoro-2-methylpropoxy)-diphenylmethyl]benzene
PubChem CID135011799
Molecular FormulaC23H23FO
Molecular Weight334.43 g/mol
Exact Mass334.17
IUPAC Name[(3-fluoro-2-methylpropoxy)-diphenylmethyl]benzene
SMILESCC(CF)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23FO/c1-19(17-24)18-25-23(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19H,17-18H2,1H3
InChIKeyHEMMSBZOJKIMDY-UHFFFAOYSA-N
XLogP5.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.43
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3-fluoro-2-methylpropoxy)-diphenylmethyl]benzene?
The IUPAC name of [(3-fluoro-2-methylpropoxy)-diphenylmethyl]benzene (CID 135011799) is [(3-fluoro-2-methylpropoxy)-diphenylmethyl]benzene.
What is the SMILES notation for [(3-fluoro-2-methylpropoxy)-diphenylmethyl]benzene?
The canonical SMILES for [(3-fluoro-2-methylpropoxy)-diphenylmethyl]benzene is CC(CF)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(3-fluoro-2-methylpropoxy)-diphenylmethyl]benzene?
The InChIKey is HEMMSBZOJKIMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FO/c1-19(17-24)18-25-23(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19H,17-18H2,1H3.
What are the key properties of [(3-fluoro-2-methylpropoxy)-diphenylmethyl]benzene?
[(3-fluoro-2-methylpropoxy)-diphenylmethyl]benzene has a molecular weight of 334.43 g/mol, XLogP of 5.60, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-fluoro-2-methylpropoxy)-diphenylmethyl]benzene is sourced from PubChem (CID 135011799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).