1-fluoro-4-[[(4-fluorophenyl)-phenylmethoxy]-phenylmethyl]benzene

C26H20F2O — CID 15555310

IUPAC1-fluoro-4-[[(4-fluorophenyl)-phenylmethoxy]-phenylmethyl]benzene
SMILESFc1ccc(C(OC(c2ccccc2)c2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H20F2O/c27-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19)29-26(20-9-5-2-6-10-20)22-13-17-24(28)18-14-22/h1-18,25-26H
InChIKeyCLKXDUCCYCYMSK-UHFFFAOYSA-N
MW386.44 g/mol
LogP6.86
Rot. Bonds6

About 1-fluoro-4-[[(4-fluorophenyl)-phenylmethoxy]-phenylmethyl]benzene

1-fluoro-4-[[(4-fluorophenyl)-phenylmethoxy]-phenylmethyl]benzene (PubChem CID 15555310) has the molecular formula C26H20F2O and a molecular weight of 386.44 g/mol. Its IUPAC name is 1-fluoro-4-[[(4-fluorophenyl)-phenylmethoxy]-phenylmethyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[[(4-fluorophenyl)-phenylmethoxy]-phenylmethyl]benzene
PubChem CID15555310
Molecular FormulaC26H20F2O
Molecular Weight386.44 g/mol
Exact Mass386.15
IUPAC Name1-fluoro-4-[[(4-fluorophenyl)-phenylmethoxy]-phenylmethyl]benzene
SMILESFc1ccc(C(OC(c2ccccc2)c2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H20F2O/c27-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19)29-26(20-9-5-2-6-10-20)22-13-17-24(28)18-14-22/h1-18,25-26H
InChIKeyCLKXDUCCYCYMSK-UHFFFAOYSA-N
XLogP6.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.44
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[[(4-fluorophenyl)-phenylmethoxy]-phenylmethyl]benzene?
The IUPAC name of 1-fluoro-4-[[(4-fluorophenyl)-phenylmethoxy]-phenylmethyl]benzene (CID 15555310) is 1-fluoro-4-[[(4-fluorophenyl)-phenylmethoxy]-phenylmethyl]benzene.
What is the SMILES notation for 1-fluoro-4-[[(4-fluorophenyl)-phenylmethoxy]-phenylmethyl]benzene?
The canonical SMILES for 1-fluoro-4-[[(4-fluorophenyl)-phenylmethoxy]-phenylmethyl]benzene is Fc1ccc(C(OC(c2ccccc2)c2ccc(F)cc2)c2ccccc2)cc1.
What is the InChIKey of 1-fluoro-4-[[(4-fluorophenyl)-phenylmethoxy]-phenylmethyl]benzene?
The InChIKey is CLKXDUCCYCYMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2O/c27-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19)29-26(20-9-5-2-6-10-20)22-13-17-24(28)18-14-22/h1-18,25-26H.
What are the key properties of 1-fluoro-4-[[(4-fluorophenyl)-phenylmethoxy]-phenylmethyl]benzene?
1-fluoro-4-[[(4-fluorophenyl)-phenylmethoxy]-phenylmethyl]benzene has a molecular weight of 386.44 g/mol, XLogP of 6.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[[(4-fluorophenyl)-phenylmethoxy]-phenylmethyl]benzene is sourced from PubChem (CID 15555310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).