(2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one

C19H22O3 — CID 125480635

IUPAC(2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one
SMILESCOc1ccc(C(=O)[C@H](c2ccc(OC)cc2)C(C)C)cc1
InChIInChI=1S/C19H22O3/c1-13(2)18(14-5-9-16(21-3)10-6-14)19(20)15-7-11-17(22-4)12-8-15/h5-13,18H,1-4H3/t18-/m0/s1
InChIKeyWSURILCSVUHGLF-SFHVURJKSA-N
MW298.38 g/mol
LogP4.33
Rot. Bonds6

About (2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one

(2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one (PubChem CID 125480635) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is (2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one.

Molecular Properties

Compound Name(2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one
PubChem CID125480635
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name(2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one
SMILESCOc1ccc(C(=O)[C@H](c2ccc(OC)cc2)C(C)C)cc1
InChIInChI=1S/C19H22O3/c1-13(2)18(14-5-9-16(21-3)10-6-14)19(20)15-7-11-17(22-4)12-8-15/h5-13,18H,1-4H3/t18-/m0/s1
InChIKeyWSURILCSVUHGLF-SFHVURJKSA-N
XLogP4.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-methoxyphenyl)-3-methylbutanoate
CID 62395214
(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2-methylpropan-1-one
CID 102032206
2-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylbutane-1,4-dione
CID 122221336
2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
(2S)-2-bromo-1,2-bis(4-methoxyphenyl)ethanone
CID 40529587
4,5-bis(4-methoxyphenyl)-2-methylidene-5-oxo-3-phenylpentanoic acid
CID 101477479
2,3-dibromo-1,3-bis(4-methoxyphenyl)propan-1-one
CID 10895225
methyl 4-[[2-(4-methoxyphenyl)-3-methylbutanoyl]amino]benzoate
CID 110316959
1-(4-methoxyphenyl)-2-methylsulfinylpropan-1-one
CID 64640564
3-ethyl-1,2-bis(4-methoxyphenyl)-4-[4-tri(propan-2-yl)silyloxyphenyl]butane-1,4-dione
CID 101121470
2-bromo-1-(4-chlorophenyl)-2-(4-methoxyphenyl)ethanone
CID 59486536
2,2-difluoro-1-(4-methoxyphenyl)ethanone
CID 11593558

Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one?
The IUPAC name of (2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one (CID 125480635) is (2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one.
What is the SMILES notation for (2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one?
The canonical SMILES for (2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one is COc1ccc(C(=O)[C@H](c2ccc(OC)cc2)C(C)C)cc1.
What is the InChIKey of (2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one?
The InChIKey is WSURILCSVUHGLF-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22O3/c1-13(2)18(14-5-9-16(21-3)10-6-14)19(20)15-7-11-17(22-4)12-8-15/h5-13,18H,1-4H3/t18-/m0/s1.
What are the key properties of (2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one?
(2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one has a molecular weight of 298.38 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one is sourced from PubChem (CID 125480635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).