1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone

C16H15FO2 — CID 105371730

IUPAC1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cc(F)ccc2C)cc1
InChIInChI=1S/C16H15FO2/c1-11-3-6-15(17)9-14(11)10-19-16-7-4-13(5-8-16)12(2)18/h3-9H,10H2,1-2H3
InChIKeyWSEAQRCHTHNPFD-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.92
Rot. Bonds4

About 1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone

1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone (PubChem CID 105371730) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone
PubChem CID105371730
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cc(F)ccc2C)cc1
InChIInChI=1S/C16H15FO2/c1-11-3-6-15(17)9-14(11)10-19-16-7-4-13(5-8-16)12(2)18/h3-9H,10H2,1-2H3
InChIKeyWSEAQRCHTHNPFD-UHFFFAOYSA-N
XLogP3.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]butan-2-one
CID 105371732
1-[4-fluoro-2-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone
CID 105371740
[4-[(4,5-dimethoxy-2-methylphenyl)methoxy]phenyl]-(4-fluorophenyl)methanone
CID 7795233
5-[(5-fluoro-2-methylphenyl)methoxy]pyridine-2-carboxylic acid
CID 105371812
2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107675308
5-[(5-fluoro-2-methylphenyl)methoxy]-2-methylaniline
CID 114252463
1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone
CID 60661065
2-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N'-hydroxyethanimidamide
CID 105371860
(E)-3-[3-[(5-fluoro-2-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 105372222
4-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102615075
methyl 4-amino-3-[(5-fluoro-2-methylphenyl)methoxy]benzoate
CID 105372375
1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone (CID 105371730) is 1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone is CC(=O)c1ccc(OCc2cc(F)ccc2C)cc1.
What is the InChIKey of 1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone?
The InChIKey is WSEAQRCHTHNPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-11-3-6-15(17)9-14(11)10-19-16-7-4-13(5-8-16)12(2)18/h3-9H,10H2,1-2H3.
What are the key properties of 1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone?
1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone has a molecular weight of 258.29 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 105371730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).