(5-fluoro-2-methoxy-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone

C15H20FNO2 — CID 164882856

IUPAC(5-fluoro-2-methoxy-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
SMILESCOc1cc(C(C)C)c(F)cc1C(=O)N1CCCC1
InChIInChI=1S/C15H20FNO2/c1-10(2)11-9-14(19-3)12(8-13(11)16)15(18)17-6-4-5-7-17/h8-10H,4-7H2,1-3H3
InChIKeyKWCNRWNNIFMUDH-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.19
Rot. Bonds3

About (5-fluoro-2-methoxy-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone

(5-fluoro-2-methoxy-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone (PubChem CID 164882856) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is (5-fluoro-2-methoxy-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(5-fluoro-2-methoxy-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
PubChem CID164882856
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name(5-fluoro-2-methoxy-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
SMILESCOc1cc(C(C)C)c(F)cc1C(=O)N1CCCC1
InChIInChI=1S/C15H20FNO2/c1-10(2)11-9-14(19-3)12(8-13(11)16)15(18)17-6-4-5-7-17/h8-10H,4-7H2,1-3H3
InChIKeyKWCNRWNNIFMUDH-UHFFFAOYSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
CID 164882454
(5-chloro-2-methoxy-4-methylphenyl)-piperidin-1-ylmethanone
CID 110762027
1-[4-(5-fluoro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110806210
(4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110465007
(2-methoxy-4-methylsulfanylphenyl)-piperidin-1-ylmethanone
CID 4635913
1-[4-(4-methoxy-2-methyl-5-propan-2-ylbenzoyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110806238
(4-bromo-2-ethoxy-5-fluorophenyl)-piperidin-1-ylmethanone
CID 164882888
(4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 78988655
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608
(5-tert-butyl-2-methoxyphenyl)-pyrrolidin-1-ylmethanone
CID 50882718
1-[4-(2-methoxy-4,5-dimethylbenzoyl)-1,4-diazepan-1-yl]-3-methylbutan-1-one
CID 110806864

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxy-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (5-fluoro-2-methoxy-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone (CID 164882856) is (5-fluoro-2-methoxy-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (5-fluoro-2-methoxy-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (5-fluoro-2-methoxy-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone is COc1cc(C(C)C)c(F)cc1C(=O)N1CCCC1.
What is the InChIKey of (5-fluoro-2-methoxy-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is KWCNRWNNIFMUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-10(2)11-9-14(19-3)12(8-13(11)16)15(18)17-6-4-5-7-17/h8-10H,4-7H2,1-3H3.
What are the key properties of (5-fluoro-2-methoxy-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone?
(5-fluoro-2-methoxy-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 265.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxy-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 164882856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).