1-(4-fluorophenyl)-4-methoxy-5-naphthalen-1-ylpentan-2-one

C22H21FO2 — CID 24881744

IUPAC1-(4-fluorophenyl)-4-methoxy-5-naphthalen-1-ylpentan-2-one
SMILESCOC(CC(=O)Cc1ccc(F)cc1)Cc1cccc2ccccc12
InChIInChI=1S/C22H21FO2/c1-25-21(15-20(24)13-16-9-11-19(23)12-10-16)14-18-7-4-6-17-5-2-3-8-22(17)18/h2-12,21H,13-15H2,1H3
InChIKeyXKBVSBCXFYGVQW-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.74
Rot. Bonds7

About 1-(4-fluorophenyl)-4-methoxy-5-naphthalen-1-ylpentan-2-one

1-(4-fluorophenyl)-4-methoxy-5-naphthalen-1-ylpentan-2-one (PubChem CID 24881744) has the molecular formula C22H21FO2 and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methoxy-5-naphthalen-1-ylpentan-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-methoxy-5-naphthalen-1-ylpentan-2-one
PubChem CID24881744
Molecular FormulaC22H21FO2
Molecular Weight336.41 g/mol
Exact Mass336.15
IUPAC Name1-(4-fluorophenyl)-4-methoxy-5-naphthalen-1-ylpentan-2-one
SMILESCOC(CC(=O)Cc1ccc(F)cc1)Cc1cccc2ccccc12
InChIInChI=1S/C22H21FO2/c1-25-21(15-20(24)13-16-9-11-19(23)12-10-16)14-18-7-4-6-17-5-2-3-8-22(17)18/h2-12,21H,13-15H2,1H3
InChIKeyXKBVSBCXFYGVQW-UHFFFAOYSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-methoxy-5-naphthalen-1-ylpentan-2-one?
The IUPAC name of 1-(4-fluorophenyl)-4-methoxy-5-naphthalen-1-ylpentan-2-one (CID 24881744) is 1-(4-fluorophenyl)-4-methoxy-5-naphthalen-1-ylpentan-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methoxy-5-naphthalen-1-ylpentan-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-methoxy-5-naphthalen-1-ylpentan-2-one is COC(CC(=O)Cc1ccc(F)cc1)Cc1cccc2ccccc12.
What is the InChIKey of 1-(4-fluorophenyl)-4-methoxy-5-naphthalen-1-ylpentan-2-one?
The InChIKey is XKBVSBCXFYGVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FO2/c1-25-21(15-20(24)13-16-9-11-19(23)12-10-16)14-18-7-4-6-17-5-2-3-8-22(17)18/h2-12,21H,13-15H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-methoxy-5-naphthalen-1-ylpentan-2-one?
1-(4-fluorophenyl)-4-methoxy-5-naphthalen-1-ylpentan-2-one has a molecular weight of 336.41 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-methoxy-5-naphthalen-1-ylpentan-2-one is sourced from PubChem (CID 24881744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).