2-fluoro-1-methoxy-4-phenylbenzene

C13H11FO — CID 14122124

IUPAC2-fluoro-1-methoxy-4-phenylbenzene
SMILESCOc1ccc(-c2ccccc2)cc1F
InChIInChI=1S/C13H11FO/c1-15-13-8-7-11(9-12(13)14)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyVACQQHZZCOZKJC-UHFFFAOYSA-N
MW202.23 g/mol
LogP3.50
Rot. Bonds2

About 2-fluoro-1-methoxy-4-phenylbenzene

2-fluoro-1-methoxy-4-phenylbenzene (PubChem CID 14122124) has the molecular formula C13H11FO and a molecular weight of 202.23 g/mol. Its IUPAC name is 2-fluoro-1-methoxy-4-phenylbenzene.

Molecular Properties

Compound Name2-fluoro-1-methoxy-4-phenylbenzene
PubChem CID14122124
Molecular FormulaC13H11FO
Molecular Weight202.23 g/mol
Exact Mass202.08
IUPAC Name2-fluoro-1-methoxy-4-phenylbenzene
SMILESCOc1ccc(-c2ccccc2)cc1F
InChIInChI=1S/C13H11FO/c1-15-13-8-7-11(9-12(13)14)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyVACQQHZZCOZKJC-UHFFFAOYSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methoxy-4-phenylbenzene?
The IUPAC name of 2-fluoro-1-methoxy-4-phenylbenzene (CID 14122124) is 2-fluoro-1-methoxy-4-phenylbenzene.
What is the SMILES notation for 2-fluoro-1-methoxy-4-phenylbenzene?
The canonical SMILES for 2-fluoro-1-methoxy-4-phenylbenzene is COc1ccc(-c2ccccc2)cc1F.
What is the InChIKey of 2-fluoro-1-methoxy-4-phenylbenzene?
The InChIKey is VACQQHZZCOZKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO/c1-15-13-8-7-11(9-12(13)14)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 2-fluoro-1-methoxy-4-phenylbenzene?
2-fluoro-1-methoxy-4-phenylbenzene has a molecular weight of 202.23 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methoxy-4-phenylbenzene is sourced from PubChem (CID 14122124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).