1-(4-fluoro-2-methylphenyl)-4-phenoxybutan-2-one

C17H17FO2 — CID 114347135

IUPAC1-(4-fluoro-2-methylphenyl)-4-phenoxybutan-2-one
SMILESCc1cc(F)ccc1CC(=O)CCOc1ccccc1
InChIInChI=1S/C17H17FO2/c1-13-11-15(18)8-7-14(13)12-16(19)9-10-20-17-5-3-2-4-6-17/h2-8,11H,9-10,12H2,1H3
InChIKeyFBCDBDCRIYZPIU-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.71
Rot. Bonds6

About 1-(4-fluoro-2-methylphenyl)-4-phenoxybutan-2-one

1-(4-fluoro-2-methylphenyl)-4-phenoxybutan-2-one (PubChem CID 114347135) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-4-phenoxybutan-2-one.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-4-phenoxybutan-2-one
PubChem CID114347135
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name1-(4-fluoro-2-methylphenyl)-4-phenoxybutan-2-one
SMILESCc1cc(F)ccc1CC(=O)CCOc1ccccc1
InChIInChI=1S/C17H17FO2/c1-13-11-15(18)8-7-14(13)12-16(19)9-10-20-17-5-3-2-4-6-17/h2-8,11H,9-10,12H2,1H3
InChIKeyFBCDBDCRIYZPIU-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-fluorophenyl)-4-phenoxybutan-2-one
CID 62622233
1-(2-ethyl-5-fluorophenyl)-4-(4-methylphenoxy)butan-2-one
CID 161319031
4-(dimethylamino)-1-(4-fluoro-2-methylphenyl)butan-2-one
CID 114347338
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
1-(2-bromo-5-fluorophenyl)-4-(3-methylphenoxy)butan-2-one
CID 105090148
1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114347298
1-(3-methylphenyl)-4-phenoxybutan-2-one
CID 55023485
1-(4-fluorophenyl)-4-(3-methylphenoxy)butan-2-one
CID 105078427
1-bromo-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 130882304
1-phenoxyhexan-3-one
CID 60797707
1-methoxy-5-phenoxypentan-3-one
CID 114998471
1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-one
CID 62717383

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-4-phenoxybutan-2-one?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-4-phenoxybutan-2-one (CID 114347135) is 1-(4-fluoro-2-methylphenyl)-4-phenoxybutan-2-one.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-4-phenoxybutan-2-one?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-4-phenoxybutan-2-one is Cc1cc(F)ccc1CC(=O)CCOc1ccccc1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-4-phenoxybutan-2-one?
The InChIKey is FBCDBDCRIYZPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-13-11-15(18)8-7-14(13)12-16(19)9-10-20-17-5-3-2-4-6-17/h2-8,11H,9-10,12H2,1H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-4-phenoxybutan-2-one?
1-(4-fluoro-2-methylphenyl)-4-phenoxybutan-2-one has a molecular weight of 272.32 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-4-phenoxybutan-2-one is sourced from PubChem (CID 114347135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).