1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene

C19H15FO — CID 175734991

IUPAC1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene
SMILESCOc1ccccc1-c1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C19H15FO/c1-21-19-11-3-2-10-18(19)16-8-4-6-14(12-16)15-7-5-9-17(20)13-15/h2-13H,1H3
InChIKeyWMIWSDOVGHDCRK-UHFFFAOYSA-N
MW278.33 g/mol
LogP5.17
Rot. Bonds3

About 1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene

1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene (PubChem CID 175734991) has the molecular formula C19H15FO and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene.

Molecular Properties

Compound Name1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene
PubChem CID175734991
Molecular FormulaC19H15FO
Molecular Weight278.33 g/mol
Exact Mass278.11
IUPAC Name1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene
SMILESCOc1ccccc1-c1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C19H15FO/c1-21-19-11-3-2-10-18(19)16-8-4-6-14(12-16)15-7-5-9-17(20)13-15/h2-13H,1H3
InChIKeyWMIWSDOVGHDCRK-UHFFFAOYSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.33
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene?
The IUPAC name of 1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene (CID 175734991) is 1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene.
What is the SMILES notation for 1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene?
The canonical SMILES for 1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene is COc1ccccc1-c1cccc(-c2cccc(F)c2)c1.
What is the InChIKey of 1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene?
The InChIKey is WMIWSDOVGHDCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FO/c1-21-19-11-3-2-10-18(19)16-8-4-6-14(12-16)15-7-5-9-17(20)13-15/h2-13H,1H3.
What are the key properties of 1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene?
1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene has a molecular weight of 278.33 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene is sourced from PubChem (CID 175734991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).