(2-fluoro-1-methoxy-1-phenylpropyl)benzene

C16H17FO — CID 11096844

IUPAC(2-fluoro-1-methoxy-1-phenylpropyl)benzene
SMILESCOC(c1ccccc1)(c1ccccc1)C(C)F
InChIInChI=1S/C16H17FO/c1-13(17)16(18-2,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3
InChIKeyDLHFPIXXAXCGSA-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.93
Rot. Bonds4

About (2-fluoro-1-methoxy-1-phenylpropyl)benzene

(2-fluoro-1-methoxy-1-phenylpropyl)benzene (PubChem CID 11096844) has the molecular formula C16H17FO and a molecular weight of 244.31 g/mol. Its IUPAC name is (2-fluoro-1-methoxy-1-phenylpropyl)benzene.

Molecular Properties

Compound Name(2-fluoro-1-methoxy-1-phenylpropyl)benzene
PubChem CID11096844
Molecular FormulaC16H17FO
Molecular Weight244.31 g/mol
Exact Mass244.13
IUPAC Name(2-fluoro-1-methoxy-1-phenylpropyl)benzene
SMILESCOC(c1ccccc1)(c1ccccc1)C(C)F
InChIInChI=1S/C16H17FO/c1-13(17)16(18-2,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3
InChIKeyDLHFPIXXAXCGSA-UHFFFAOYSA-N
XLogP3.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.93
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-1-phenylpropyl)benzene?
The IUPAC name of (2-fluoro-1-methoxy-1-phenylpropyl)benzene (CID 11096844) is (2-fluoro-1-methoxy-1-phenylpropyl)benzene.
What is the SMILES notation for (2-fluoro-1-methoxy-1-phenylpropyl)benzene?
The canonical SMILES for (2-fluoro-1-methoxy-1-phenylpropyl)benzene is COC(c1ccccc1)(c1ccccc1)C(C)F.
What is the InChIKey of (2-fluoro-1-methoxy-1-phenylpropyl)benzene?
The InChIKey is DLHFPIXXAXCGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO/c1-13(17)16(18-2,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3.
What are the key properties of (2-fluoro-1-methoxy-1-phenylpropyl)benzene?
(2-fluoro-1-methoxy-1-phenylpropyl)benzene has a molecular weight of 244.31 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-1-methoxy-1-phenylpropyl)benzene is sourced from PubChem (CID 11096844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).