(2S,3S)-3-(4-methoxyphenyl)-2-methyl-1,4-diphenylbutan-1-one

C24H24O2 — CID 139118862

IUPAC(2S,3S)-3-(4-methoxyphenyl)-2-methyl-1,4-diphenylbutan-1-one
SMILESCOc1ccc([C@@H](Cc2ccccc2)[C@H](C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H24O2/c1-18(24(25)21-11-7-4-8-12-21)23(17-19-9-5-3-6-10-19)20-13-15-22(26-2)16-14-20/h3-16,18,23H,17H2,1-2H3/t18-,23-/m0/s1
InChIKeyWWCREMBDPTWLNU-MBSDFSHPSA-N
MW344.45 g/mol
LogP5.54
Rot. Bonds7

About (2S,3S)-3-(4-methoxyphenyl)-2-methyl-1,4-diphenylbutan-1-one

(2S,3S)-3-(4-methoxyphenyl)-2-methyl-1,4-diphenylbutan-1-one (PubChem CID 139118862) has the molecular formula C24H24O2 and a molecular weight of 344.45 g/mol. Its IUPAC name is (2S,3S)-3-(4-methoxyphenyl)-2-methyl-1,4-diphenylbutan-1-one.

Molecular Properties

Compound Name(2S,3S)-3-(4-methoxyphenyl)-2-methyl-1,4-diphenylbutan-1-one
PubChem CID139118862
Molecular FormulaC24H24O2
Molecular Weight344.45 g/mol
Exact Mass344.18
IUPAC Name(2S,3S)-3-(4-methoxyphenyl)-2-methyl-1,4-diphenylbutan-1-one
SMILESCOc1ccc([C@@H](Cc2ccccc2)[C@H](C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H24O2/c1-18(24(25)21-11-7-4-8-12-21)23(17-19-9-5-3-6-10-19)20-13-15-22(26-2)16-14-20/h3-16,18,23H,17H2,1-2H3/t18-,23-/m0/s1
InChIKeyWWCREMBDPTWLNU-MBSDFSHPSA-N
XLogP5.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.45
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
CID 95560671
2,3-bis[(4-methoxyphenyl)methyl]-1,4-diphenylbutane-1,4-dione
CID 14434324
1-(4-methoxyphenyl)-2-(methylamino)-3-phenylpropan-1-one
CID 153316064
(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 93090141
(2R,3S)-3-amino-1-(4-methoxyphenyl)-2-methyl-3-phenylpropan-1-one
CID 10635675
[(2S)-1-(4-methoxyphenyl)-1-oxo-3-phenylpropan-2-yl] acetate
CID 15421892
4-(4-methoxyphenyl)-2-methyl-1-phenylbutan-1-one
CID 104845102
2-amino-1-(4-methoxyphenyl)-3-phenylpropan-1-ol
CID 62722209
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
1-deuterio-1-(4-methoxyphenyl)-2-phenylethanol
CID 135063762
2-(4-methoxyphenoxy)-1,2-diphenylethanone
CID 20722156
1-methoxy-4-(1-nitroso-2-phenylethyl)benzene
CID 91063046

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(4-methoxyphenyl)-2-methyl-1,4-diphenylbutan-1-one?
The IUPAC name of (2S,3S)-3-(4-methoxyphenyl)-2-methyl-1,4-diphenylbutan-1-one (CID 139118862) is (2S,3S)-3-(4-methoxyphenyl)-2-methyl-1,4-diphenylbutan-1-one.
What is the SMILES notation for (2S,3S)-3-(4-methoxyphenyl)-2-methyl-1,4-diphenylbutan-1-one?
The canonical SMILES for (2S,3S)-3-(4-methoxyphenyl)-2-methyl-1,4-diphenylbutan-1-one is COc1ccc([C@@H](Cc2ccccc2)[C@H](C)C(=O)c2ccccc2)cc1.
What is the InChIKey of (2S,3S)-3-(4-methoxyphenyl)-2-methyl-1,4-diphenylbutan-1-one?
The InChIKey is WWCREMBDPTWLNU-MBSDFSHPSA-N. The full InChI is InChI=1S/C24H24O2/c1-18(24(25)21-11-7-4-8-12-21)23(17-19-9-5-3-6-10-19)20-13-15-22(26-2)16-14-20/h3-16,18,23H,17H2,1-2H3/t18-,23-/m0/s1.
What are the key properties of (2S,3S)-3-(4-methoxyphenyl)-2-methyl-1,4-diphenylbutan-1-one?
(2S,3S)-3-(4-methoxyphenyl)-2-methyl-1,4-diphenylbutan-1-one has a molecular weight of 344.45 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(4-methoxyphenyl)-2-methyl-1,4-diphenylbutan-1-one is sourced from PubChem (CID 139118862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).