1-(2-ethyl-5-fluorophenyl)-4-(4-methylphenoxy)butan-2-one

C19H21FO2 — CID 161319031

IUPAC1-(2-ethyl-5-fluorophenyl)-4-(4-methylphenoxy)butan-2-one
SMILESCCc1ccc(F)cc1CC(=O)CCOc1ccc(C)cc1
InChIInChI=1S/C19H21FO2/c1-3-15-6-7-17(20)12-16(15)13-18(21)10-11-22-19-8-4-14(2)5-9-19/h4-9,12H,3,10-11,13H2,1-2H3
InChIKeyVJWWGRVMOGRWDC-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.28
Rot. Bonds7

About 1-(2-ethyl-5-fluorophenyl)-4-(4-methylphenoxy)butan-2-one

1-(2-ethyl-5-fluorophenyl)-4-(4-methylphenoxy)butan-2-one (PubChem CID 161319031) has the molecular formula C19H21FO2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-(2-ethyl-5-fluorophenyl)-4-(4-methylphenoxy)butan-2-one.

Molecular Properties

Compound Name1-(2-ethyl-5-fluorophenyl)-4-(4-methylphenoxy)butan-2-one
PubChem CID161319031
Molecular FormulaC19H21FO2
Molecular Weight300.37 g/mol
Exact Mass300.15
IUPAC Name1-(2-ethyl-5-fluorophenyl)-4-(4-methylphenoxy)butan-2-one
SMILESCCc1ccc(F)cc1CC(=O)CCOc1ccc(C)cc1
InChIInChI=1S/C19H21FO2/c1-3-15-6-7-17(20)12-16(15)13-18(21)10-11-22-19-8-4-14(2)5-9-19/h4-9,12H,3,10-11,13H2,1-2H3
InChIKeyVJWWGRVMOGRWDC-UHFFFAOYSA-N
XLogP4.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-2-methylphenyl)-4-phenoxybutan-2-one
CID 114347135
1-(2-bromo-5-fluorophenyl)-4-(3-methylphenoxy)butan-2-one
CID 105090148
1-(2-chloro-4-fluorophenyl)-4-phenoxybutan-2-one
CID 62622233
1-hydroxy-4-(4-methylphenoxy)butan-2-one
CID 95437360
1-(4-fluorophenyl)-4-(3-methylphenoxy)butan-2-one
CID 105078427
5-fluoro-2-[(4-methylphenoxy)methyl]benzoic acid
CID 63292702
4-(3-methylphenoxy)-1-(4-methylphenyl)butan-2-one
CID 105078833
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578
3-(4-fluorophenoxy)-N-(4-methyl-2-pyridinyl)propanamide
CID 47351806
N-(2-fluoro-4-methylphenyl)-3-(4-fluorophenoxy)propanamide
CID 31893094
N-(2,5-dimethylphenyl)-3-(4-fluorophenoxy)propanamide
CID 31847881
1,4-difluoro-2-[2-(4-methylphenoxy)ethoxymethyl]benzene
CID 58376810

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-fluorophenyl)-4-(4-methylphenoxy)butan-2-one?
The IUPAC name of 1-(2-ethyl-5-fluorophenyl)-4-(4-methylphenoxy)butan-2-one (CID 161319031) is 1-(2-ethyl-5-fluorophenyl)-4-(4-methylphenoxy)butan-2-one.
What is the SMILES notation for 1-(2-ethyl-5-fluorophenyl)-4-(4-methylphenoxy)butan-2-one?
The canonical SMILES for 1-(2-ethyl-5-fluorophenyl)-4-(4-methylphenoxy)butan-2-one is CCc1ccc(F)cc1CC(=O)CCOc1ccc(C)cc1.
What is the InChIKey of 1-(2-ethyl-5-fluorophenyl)-4-(4-methylphenoxy)butan-2-one?
The InChIKey is VJWWGRVMOGRWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FO2/c1-3-15-6-7-17(20)12-16(15)13-18(21)10-11-22-19-8-4-14(2)5-9-19/h4-9,12H,3,10-11,13H2,1-2H3.
What are the key properties of 1-(2-ethyl-5-fluorophenyl)-4-(4-methylphenoxy)butan-2-one?
1-(2-ethyl-5-fluorophenyl)-4-(4-methylphenoxy)butan-2-one has a molecular weight of 300.37 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-fluorophenyl)-4-(4-methylphenoxy)butan-2-one is sourced from PubChem (CID 161319031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).