(2R,4S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxan-4-ol

C21H26O4 — CID 122367194

IUPAC(2R,4S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxan-4-ol
SMILESCOc1ccc(CC[C@@H]2C[C@H](O)C[C@H](c3ccc(OC)cc3)O2)cc1
InChIInChI=1S/C21H26O4/c1-23-18-8-3-15(4-9-18)5-10-20-13-17(22)14-21(25-20)16-6-11-19(24-2)12-7-16/h3-4,6-9,11-12,17,20-22H,5,10,13-14H2,1-2H3/t17-,20+,21+/m0/s1
InChIKeyYYHNMCPAVPZGPO-IOMROCGXSA-N
MW342.44 g/mol
LogP3.92
Rot. Bonds6

About (2R,4S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxan-4-ol

(2R,4S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxan-4-ol (PubChem CID 122367194) has the molecular formula C21H26O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2R,4S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxan-4-ol.

Molecular Properties

Compound Name(2R,4S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxan-4-ol
PubChem CID122367194
Molecular FormulaC21H26O4
Molecular Weight342.44 g/mol
Exact Mass342.18
IUPAC Name(2R,4S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxan-4-ol
SMILESCOc1ccc(CC[C@@H]2C[C@H](O)C[C@H](c3ccc(OC)cc3)O2)cc1
InChIInChI=1S/C21H26O4/c1-23-18-8-3-15(4-9-18)5-10-20-13-17(22)14-21(25-20)16-6-11-19(24-2)12-7-16/h3-4,6-9,11-12,17,20-22H,5,10,13-14H2,1-2H3/t17-,20+,21+/m0/s1
InChIKeyYYHNMCPAVPZGPO-IOMROCGXSA-N
XLogP3.92
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,4S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxan-4-ol 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

(2S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxane
CID 162820309
4-methoxy-2-[2-(4-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyran-6-ol
CID 134508325
3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 65444252
cis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 11506917
8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63768377
3-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclobutan-1-ol
CID 66005906
5-[(2S,4R,6R)-4-hydroxy-6-[2-[4-hydroxy-3-(3-methylbutyl)phenyl]ethyl]oxan-2-yl]-3-methoxybenzene-1,2-diol
CID 163099811
[3-acetyloxy-2-[(2S,3S,4R,6S)-4-acetyloxy-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxan-3-yl]propyl] acetate
CID 15981544
4-[(2S,4R,6S)-4-bromo-6-[2-(4-phenylmethoxyphenyl)ethyl]oxan-2-yl]phenol
CID 11202170
2-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methylphenyl]-6-methyloxan-4-ol
CID 144713732
(3S,4S,6R)-6-(4-methoxyphenyl)oxane-3,4-diol
CID 100945532
2-(4-methylphenyl)-6-pentyloxan-4-ol
CID 101106475

Frequently Asked Questions

What is the IUPAC name of (2R,4S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxan-4-ol?
The IUPAC name of (2R,4S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxan-4-ol (CID 122367194) is (2R,4S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxan-4-ol.
What is the SMILES notation for (2R,4S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxan-4-ol?
The canonical SMILES for (2R,4S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxan-4-ol is COc1ccc(CC[C@@H]2C[C@H](O)C[C@H](c3ccc(OC)cc3)O2)cc1.
What is the InChIKey of (2R,4S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxan-4-ol?
The InChIKey is YYHNMCPAVPZGPO-IOMROCGXSA-N. The full InChI is InChI=1S/C21H26O4/c1-23-18-8-3-15(4-9-18)5-10-20-13-17(22)14-21(25-20)16-6-11-19(24-2)12-7-16/h3-4,6-9,11-12,17,20-22H,5,10,13-14H2,1-2H3/t17-,20+,21+/m0/s1.
What are the key properties of (2R,4S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxan-4-ol?
(2R,4S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxan-4-ol has a molecular weight of 342.44 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxan-4-ol is sourced from PubChem (CID 122367194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).