1-fluoro-4-(phenoxymethyl)benzene

C13H11FO — CID 957495

IUPAC1-fluoro-4-(phenoxymethyl)benzene
SMILESFc1ccc(COc2ccccc2)cc1
InChIInChI=1S/C13H11FO/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyZEBWKHSZNNVJBD-UHFFFAOYSA-N
MW202.23 g/mol
LogP3.40
Rot. Bonds3

About 1-fluoro-4-(phenoxymethyl)benzene

1-fluoro-4-(phenoxymethyl)benzene (PubChem CID 957495) has the molecular formula C13H11FO and a molecular weight of 202.23 g/mol. Its IUPAC name is 1-fluoro-4-(phenoxymethyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(phenoxymethyl)benzene
PubChem CID957495
Molecular FormulaC13H11FO
Molecular Weight202.23 g/mol
Exact Mass202.08
IUPAC Name1-fluoro-4-(phenoxymethyl)benzene
SMILESFc1ccc(COc2ccccc2)cc1
InChIInChI=1S/C13H11FO/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyZEBWKHSZNNVJBD-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352
1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene
CID 22280023
4-(phenoxymethyl)aniline
CID 12712561
[2-(4-fluorophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 7625196
trifluoro-[4-(phenoxymethyl)phenyl]boranuide
CID 140775679
1-fluoro-4-[(3-methoxyphenoxy)methyl]benzene
CID 59165653
trifluoro-[3-[(4-fluorophenyl)methoxy]phenyl]boranuide
CID 63678095
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
2-[(4-fluorophenyl)methoxy]phenol
CID 43143460
1-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 90934735
N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 7230041

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(phenoxymethyl)benzene?
The IUPAC name of 1-fluoro-4-(phenoxymethyl)benzene (CID 957495) is 1-fluoro-4-(phenoxymethyl)benzene.
What is the SMILES notation for 1-fluoro-4-(phenoxymethyl)benzene?
The canonical SMILES for 1-fluoro-4-(phenoxymethyl)benzene is Fc1ccc(COc2ccccc2)cc1.
What is the InChIKey of 1-fluoro-4-(phenoxymethyl)benzene?
The InChIKey is ZEBWKHSZNNVJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-9H,10H2.
What are the key properties of 1-fluoro-4-(phenoxymethyl)benzene?
1-fluoro-4-(phenoxymethyl)benzene has a molecular weight of 202.23 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(phenoxymethyl)benzene is sourced from PubChem (CID 957495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).