1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene

C20H17FO2 — CID 57107453

IUPAC1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
SMILESFc1ccc(COc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C20H17FO2/c21-18-11-9-17(10-12-18)15-23-20-8-4-7-19(13-20)22-14-16-5-2-1-3-6-16/h1-13H,14-15H2
InChIKeyTUBPFRRVOAEBGF-UHFFFAOYSA-N
MW308.35 g/mol
LogP4.98
Rot. Bonds6

About 1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene

1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene (PubChem CID 57107453) has the molecular formula C20H17FO2 and a molecular weight of 308.35 g/mol. Its IUPAC name is 1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
PubChem CID57107453
Molecular FormulaC20H17FO2
Molecular Weight308.35 g/mol
Exact Mass308.12
IUPAC Name1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
SMILESFc1ccc(COc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C20H17FO2/c21-18-11-9-17(10-12-18)15-23-20-8-4-7-19(13-20)22-14-16-5-2-1-3-6-16/h1-13H,14-15H2
InChIKeyTUBPFRRVOAEBGF-UHFFFAOYSA-N
XLogP4.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-4-(phenoxymethyl)benzene
CID 957495
1-fluoro-4-[(3-methoxyphenoxy)methyl]benzene
CID 59165653
trifluoro-[3-[(4-fluorophenyl)methoxy]phenyl]boranuide
CID 63678095
2-[3-[(4-fluorophenyl)methoxy]phenyl]acetonitrile
CID 170886344
2-(4-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292837
1-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 90934735
CID 57238609
CID 57238609
1-(2-bromoethoxy)-3-phenylmethoxybenzene
CID 23294563
3-[(4-fluorophenyl)methoxy]benzenecarbothioamide
CID 22686177
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
CID 57452903
CID 57452903

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene?
The IUPAC name of 1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene (CID 57107453) is 1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene?
The canonical SMILES for 1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene is Fc1ccc(COc2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of 1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene?
The InChIKey is TUBPFRRVOAEBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FO2/c21-18-11-9-17(10-12-18)15-23-20-8-4-7-19(13-20)22-14-16-5-2-1-3-6-16/h1-13H,14-15H2.
What are the key properties of 1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene?
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene has a molecular weight of 308.35 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene is sourced from PubChem (CID 57107453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).