(2R)-1-(3,4-dimethoxyphenyl)-2-[4-[(2S,3R,4R,5S)-5-[4-[(2R)-1-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-one

C42H48O11 — CID 15605807

IUPAC(2R)-1-(3,4-dimethoxyphenyl)-2-[4-[(2S,3R,4R,5S)-5-[4-[(2R)-1-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-one
SMILESCOc1ccc(C(=O)[C@@H](C)Oc2ccc([C@H]3O[C@H](c4ccc(O[C@H](C)C(=O)c5ccc(OC)c(OC)c5)c(OC)c4)[C@H](C)[C@H]3C)cc2OC)cc1OC
InChIInChI=1S/C42H48O11/c1-23-24(2)42(30-14-18-34(38(22-30)50-10)52-26(4)40(44)28-12-16-32(46-6)36(20-28)48-8)53-41(23)29-13-17-33(37(21-29)49-9)51-25(3)39(43)27-11-15-31(45-5)35(19-27)47-7/h11-26,41-42H,1-10H3/t23-,24-,25-,26-,41+,42+/m1/s1
InChIKeyXQKWZFOJRRNGGD-BRBRLKMUSA-N
MW728.84 g/mol
LogP8.12
Rot. Bonds16

About (2R)-1-(3,4-dimethoxyphenyl)-2-[4-[(2S,3R,4R,5S)-5-[4-[(2R)-1-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-one

(2R)-1-(3,4-dimethoxyphenyl)-2-[4-[(2S,3R,4R,5S)-5-[4-[(2R)-1-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-one (PubChem CID 15605807) has the molecular formula C42H48O11 and a molecular weight of 728.84 g/mol. Its IUPAC name is (2R)-1-(3,4-dimethoxyphenyl)-2-[4-[(2S,3R,4R,5S)-5-[4-[(2R)-1-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-one.

Molecular Properties

Compound Name(2R)-1-(3,4-dimethoxyphenyl)-2-[4-[(2S,3R,4R,5S)-5-[4-[(2R)-1-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-one
PubChem CID15605807
Molecular FormulaC42H48O11
Molecular Weight728.84 g/mol
Exact Mass728.32
IUPAC Name(2R)-1-(3,4-dimethoxyphenyl)-2-[4-[(2S,3R,4R,5S)-5-[4-[(2R)-1-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-one
SMILESCOc1ccc(C(=O)[C@@H](C)Oc2ccc([C@H]3O[C@H](c4ccc(O[C@H](C)C(=O)c5ccc(OC)c(OC)c5)c(OC)c4)[C@H](C)[C@H]3C)cc2OC)cc1OC
InChIInChI=1S/C42H48O11/c1-23-24(2)42(30-14-18-34(38(22-30)50-10)52-26(4)40(44)28-12-16-32(46-6)36(20-28)48-8)53-41(23)29-13-17-33(37(21-29)49-9)51-25(3)39(43)27-11-15-31(45-5)35(19-27)47-7/h11-26,41-42H,1-10H3/t23-,24-,25-,26-,41+,42+/m1/s1
InChIKeyXQKWZFOJRRNGGD-BRBRLKMUSA-N
XLogP8.12
TPSA117.21 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500728.84
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze (2R)-1-(3,4-dimethoxyphenyl)-2-[4-[(2S,3R,4R,5S)-5-[4-[(2R)-1-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-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

2-[2-methoxy-4-[(2S,3R,4R,5S)-5-[3-methoxy-4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]-3,4-dimethyloxolan-2-yl]phenoxy]-1-phenylpropan-1-one
CID 122216901
2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)propan-1-one
CID 46307410
4-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol
CID 51694144
5-[(2S,3S,4S,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
CID 102353917
4-[(2S,3R,4S,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol
CID 163044948
4-[5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol
CID 131751451
CID 163729863
CID 163729863
(1S,2R)-2-[4-[(3R,4R,5S)-5-[4-[(1S,2R)-1-hydroxy-1-(4-methoxy-3-methylphenyl)propan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]-1-(4-methoxy-3-methylphenyl)propan-1-ol
CID 58443751
1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one
CID 26422
(2R)-2-(2-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one
CID 898478
4-[5-[4-[1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxybenzoyl azide
CID 142975510
1-(1,3-benzodioxol-5-yl)-2-[4-[5-[4-[1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-ol
CID 11399874

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,4-dimethoxyphenyl)-2-[4-[(2S,3R,4R,5S)-5-[4-[(2R)-1-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-one?
The IUPAC name of (2R)-1-(3,4-dimethoxyphenyl)-2-[4-[(2S,3R,4R,5S)-5-[4-[(2R)-1-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-one (CID 15605807) is (2R)-1-(3,4-dimethoxyphenyl)-2-[4-[(2S,3R,4R,5S)-5-[4-[(2R)-1-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-one.
What is the SMILES notation for (2R)-1-(3,4-dimethoxyphenyl)-2-[4-[(2S,3R,4R,5S)-5-[4-[(2R)-1-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-one?
The canonical SMILES for (2R)-1-(3,4-dimethoxyphenyl)-2-[4-[(2S,3R,4R,5S)-5-[4-[(2R)-1-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-one is COc1ccc(C(=O)[C@@H](C)Oc2ccc([C@H]3O[C@H](c4ccc(O[C@H](C)C(=O)c5ccc(OC)c(OC)c5)c(OC)c4)[C@H](C)[C@H]3C)cc2OC)cc1OC.
What is the InChIKey of (2R)-1-(3,4-dimethoxyphenyl)-2-[4-[(2S,3R,4R,5S)-5-[4-[(2R)-1-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-one?
The InChIKey is XQKWZFOJRRNGGD-BRBRLKMUSA-N. The full InChI is InChI=1S/C42H48O11/c1-23-24(2)42(30-14-18-34(38(22-30)50-10)52-26(4)40(44)28-12-16-32(46-6)36(20-28)48-8)53-41(23)29-13-17-33(37(21-29)49-9)51-25(3)39(43)27-11-15-31(45-5)35(19-27)47-7/h11-26,41-42H,1-10H3/t23-,24-,25-,26-,41+,42+/m1/s1.
What are the key properties of (2R)-1-(3,4-dimethoxyphenyl)-2-[4-[(2S,3R,4R,5S)-5-[4-[(2R)-1-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-one?
(2R)-1-(3,4-dimethoxyphenyl)-2-[4-[(2S,3R,4R,5S)-5-[4-[(2R)-1-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-one has a molecular weight of 728.84 g/mol, XLogP of 8.12, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,4-dimethoxyphenyl)-2-[4-[(2S,3R,4R,5S)-5-[4-[(2R)-1-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-one is sourced from PubChem (CID 15605807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).