butan-2-one;2,4-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)sulfanylbenzene

C24H24F2O3S — CID 143476442

IUPACbutan-2-one;2,4-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)sulfanylbenzene
SMILESCCC(C)=O.COc1cc(Sc2ccc(F)cc2F)ccc1OCc1ccccc1
InChIInChI=1S/C20H16F2O2S.C4H8O/c1-23-19-12-16(25-20-10-7-15(21)11-17(20)22)8-9-18(19)24-13-14-5-3-2-4-6-14;1-3-4(2)5/h2-12H,13H2,1H3;3H2,1-2H3
InChIKeyMWJANVIZXALTCB-UHFFFAOYSA-N
MW430.52 g/mol
LogP6.69
Rot. Bonds7

About butan-2-one;2,4-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)sulfanylbenzene

butan-2-one;2,4-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)sulfanylbenzene (PubChem CID 143476442) has the molecular formula C24H24F2O3S and a molecular weight of 430.52 g/mol. Its IUPAC name is butan-2-one;2,4-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)sulfanylbenzene.

Molecular Properties

Compound Namebutan-2-one;2,4-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)sulfanylbenzene
PubChem CID143476442
Molecular FormulaC24H24F2O3S
Molecular Weight430.52 g/mol
Exact Mass430.14
IUPAC Namebutan-2-one;2,4-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)sulfanylbenzene
SMILESCCC(C)=O.COc1cc(Sc2ccc(F)cc2F)ccc1OCc1ccccc1
InChIInChI=1S/C20H16F2O2S.C4H8O/c1-23-19-12-16(25-20-10-7-15(21)11-17(20)22)8-9-18(19)24-13-14-5-3-2-4-6-14;1-3-4(2)5/h2-12H,13H2,1H3;3H2,1-2H3
InChIKeyMWJANVIZXALTCB-UHFFFAOYSA-N
XLogP6.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.52
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(difluoromethyl)-3-fluoro-2-(3-methoxy-4-phenylmethoxyphenyl)sulfanylbenzene
CID 143476464
bis[2-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]phenoxy] carbonate
CID 90151087
dimethyl (2R,3S)-2,3-bis(3-methoxy-4-phenylmethoxybenzoyl)butanedioate
CID 11050415
methane;2-methoxy-1-phenylmethoxy-4-(3-prop-1-en-2-ylphenyl)sulfanylbenzene;dihydrate
CID 143476615
3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 55381483
N-[[(2,6-difluorobenzoyl)amino]-(3-methoxy-4-phenylmethoxyphenyl)methyl]-2,6-difluorobenzamide
CID 2421298
(3-methoxy-4-phenylmethoxyphenyl) acetate
CID 57146264
1-[(2,4-difluorophenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4664053
3,3-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propan-1-one
CID 146168049
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
[1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 46617876
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 7196715

Frequently Asked Questions

What is the IUPAC name of butan-2-one;2,4-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)sulfanylbenzene?
The IUPAC name of butan-2-one;2,4-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)sulfanylbenzene (CID 143476442) is butan-2-one;2,4-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)sulfanylbenzene.
What is the SMILES notation for butan-2-one;2,4-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)sulfanylbenzene?
The canonical SMILES for butan-2-one;2,4-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)sulfanylbenzene is CCC(C)=O.COc1cc(Sc2ccc(F)cc2F)ccc1OCc1ccccc1.
What is the InChIKey of butan-2-one;2,4-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)sulfanylbenzene?
The InChIKey is MWJANVIZXALTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2O2S.C4H8O/c1-23-19-12-16(25-20-10-7-15(21)11-17(20)22)8-9-18(19)24-13-14-5-3-2-4-6-14;1-3-4(2)5/h2-12H,13H2,1H3;3H2,1-2H3.
What are the key properties of butan-2-one;2,4-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)sulfanylbenzene?
butan-2-one;2,4-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)sulfanylbenzene has a molecular weight of 430.52 g/mol, XLogP of 6.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;2,4-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)sulfanylbenzene is sourced from PubChem (CID 143476442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).