4-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]butan-2-one

C18H19FO2 — CID 105371732

IUPAC4-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]butan-2-one
SMILESCC(=O)CCc1ccc(OCc2cc(F)ccc2C)cc1
InChIInChI=1S/C18H19FO2/c1-13-3-8-17(19)11-16(13)12-21-18-9-6-15(7-10-18)5-4-14(2)20/h3,6-11H,4-5,12H2,1-2H3
InChIKeyHDCHUAKOILKRKL-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.23
Rot. Bonds6

About 4-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]butan-2-one

4-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]butan-2-one (PubChem CID 105371732) has the molecular formula C18H19FO2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]butan-2-one.

Molecular Properties

Compound Name4-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]butan-2-one
PubChem CID105371732
Molecular FormulaC18H19FO2
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Name4-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]butan-2-one
SMILESCC(=O)CCc1ccc(OCc2cc(F)ccc2C)cc1
InChIInChI=1S/C18H19FO2/c1-13-3-8-17(19)11-16(13)12-21-18-9-6-15(7-10-18)5-4-14(2)20/h3,6-11H,4-5,12H2,1-2H3
InChIKeyHDCHUAKOILKRKL-UHFFFAOYSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone
CID 105371730
2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107675308
2-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N'-hydroxyethanimidamide
CID 105371860
4-fluoro-3-[[4-(3-oxobutyl)phenoxy]methyl]benzonitrile
CID 24707921
1-[4-fluoro-2-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone
CID 105371740
4-[4-[(2,6-difluorophenyl)methoxy]phenyl]butan-2-one
CID 103990814
5-[(5-fluoro-2-methylphenyl)methoxy]pyridine-2-carboxylic acid
CID 105371812
4-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]butan-2-one
CID 107881269
3-[4-[[2-(4-fluoro-2-methylphenoxy)phenyl]methoxy]phenyl]propanoic acid
CID 166453420
5-[(5-fluoro-2-methylphenyl)methoxy]-2-methylaniline
CID 114252463
2-[(4-ethylphenoxy)methyl]-4-fluorobenzoic acid
CID 107908458
4-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methoxy]phenyl]butan-2-one
CID 9353837

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]butan-2-one?
The IUPAC name of 4-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]butan-2-one (CID 105371732) is 4-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]butan-2-one.
What is the SMILES notation for 4-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]butan-2-one?
The canonical SMILES for 4-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]butan-2-one is CC(=O)CCc1ccc(OCc2cc(F)ccc2C)cc1.
What is the InChIKey of 4-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]butan-2-one?
The InChIKey is HDCHUAKOILKRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO2/c1-13-3-8-17(19)11-16(13)12-21-18-9-6-15(7-10-18)5-4-14(2)20/h3,6-11H,4-5,12H2,1-2H3.
What are the key properties of 4-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]butan-2-one?
4-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]butan-2-one has a molecular weight of 286.35 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]butan-2-one is sourced from PubChem (CID 105371732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).