2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene

C25H18F2O — CID 54485852

IUPAC2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene
SMILESFc1cccc(-c2ccc(-c3ccc(OCc4ccccc4)c(F)c3)cc2)c1
InChIInChI=1S/C25H18F2O/c26-23-8-4-7-21(15-23)19-9-11-20(12-10-19)22-13-14-25(24(27)16-22)28-17-18-5-2-1-3-6-18/h1-16H,17H2
InChIKeyXSGFDEHGDRWCCI-UHFFFAOYSA-N
MW372.41 g/mol
LogP6.88
Rot. Bonds5

About 2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene

2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene (PubChem CID 54485852) has the molecular formula C25H18F2O and a molecular weight of 372.41 g/mol. Its IUPAC name is 2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene.

Molecular Properties

Compound Name2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene
PubChem CID54485852
Molecular FormulaC25H18F2O
Molecular Weight372.41 g/mol
Exact Mass372.13
IUPAC Name2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene
SMILESFc1cccc(-c2ccc(-c3ccc(OCc4ccccc4)c(F)c3)cc2)c1
InChIInChI=1S/C25H18F2O/c26-23-8-4-7-21(15-23)19-9-11-20(12-10-19)22-13-14-25(24(27)16-22)28-17-18-5-2-1-3-6-18/h1-16H,17H2
InChIKeyXSGFDEHGDRWCCI-UHFFFAOYSA-N
XLogP6.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.41
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene
CID 54061452
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2-fluoro-4-(3-fluoro-4-hexoxyphenyl)-1-phenylmethoxybenzene
CID 19430958
6-(3-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71275863
5-(3-fluoro-4-phenylmethoxyphenyl)-1H-pyridin-2-one
CID 122200240
5-phenyl-2-phenylmethoxyphenol
CID 11994792
2-fluoro-4-(3-fluorophenyl)-1-hexoxybenzene
CID 57117774
4-(chloromethyl)-2-fluoro-1-[(3-fluorophenyl)methoxy]benzene
CID 107691116
5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid
CID 154202317
1-fluoro-3-[4-(methoxymethyl)phenyl]benzene
CID 143262024
2-[2-fluoro-4-[3-fluoro-4-[2-[(3-fluorophenyl)methylamino]ethoxy]phenyl]phenoxy]-N-[(3-fluorophenyl)methyl]ethanamine
CID 67810816
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene?
The IUPAC name of 2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene (CID 54485852) is 2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene.
What is the SMILES notation for 2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene?
The canonical SMILES for 2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene is Fc1cccc(-c2ccc(-c3ccc(OCc4ccccc4)c(F)c3)cc2)c1.
What is the InChIKey of 2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene?
The InChIKey is XSGFDEHGDRWCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2O/c26-23-8-4-7-21(15-23)19-9-11-20(12-10-19)22-13-14-25(24(27)16-22)28-17-18-5-2-1-3-6-18/h1-16H,17H2.
What are the key properties of 2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene?
2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene has a molecular weight of 372.41 g/mol, XLogP of 6.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene is sourced from PubChem (CID 54485852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).