1-fluoro-4-[methoxy(phenyl)methyl]benzene

C14H13FO — CID 20716656

IUPAC1-fluoro-4-[methoxy(phenyl)methyl]benzene
SMILESCOC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H13FO/c1-16-14(11-5-3-2-4-6-11)12-7-9-13(15)10-8-12/h2-10,14H,1H3
InChIKeyXLYHTEAYDHXRTH-UHFFFAOYSA-N
MW216.25 g/mol
LogP3.56
Rot. Bonds3

About 1-fluoro-4-[methoxy(phenyl)methyl]benzene

1-fluoro-4-[methoxy(phenyl)methyl]benzene (PubChem CID 20716656) has the molecular formula C14H13FO and a molecular weight of 216.25 g/mol. Its IUPAC name is 1-fluoro-4-[methoxy(phenyl)methyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[methoxy(phenyl)methyl]benzene
PubChem CID20716656
Molecular FormulaC14H13FO
Molecular Weight216.25 g/mol
Exact Mass216.10
IUPAC Name1-fluoro-4-[methoxy(phenyl)methyl]benzene
SMILESCOC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H13FO/c1-16-14(11-5-3-2-4-6-11)12-7-9-13(15)10-8-12/h2-10,14H,1H3
InChIKeyXLYHTEAYDHXRTH-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[methoxy(phenyl)methyl]benzene?
The IUPAC name of 1-fluoro-4-[methoxy(phenyl)methyl]benzene (CID 20716656) is 1-fluoro-4-[methoxy(phenyl)methyl]benzene.
What is the SMILES notation for 1-fluoro-4-[methoxy(phenyl)methyl]benzene?
The canonical SMILES for 1-fluoro-4-[methoxy(phenyl)methyl]benzene is COC(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[methoxy(phenyl)methyl]benzene?
The InChIKey is XLYHTEAYDHXRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO/c1-16-14(11-5-3-2-4-6-11)12-7-9-13(15)10-8-12/h2-10,14H,1H3.
What are the key properties of 1-fluoro-4-[methoxy(phenyl)methyl]benzene?
1-fluoro-4-[methoxy(phenyl)methyl]benzene has a molecular weight of 216.25 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[methoxy(phenyl)methyl]benzene is sourced from PubChem (CID 20716656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).