[(2R,4R,4aS,6R,8aS)-2,6-bis(3,4-dimethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol

C23H28O5 — CID 129412483

IUPAC[(2R,4R,4aS,6R,8aS)-2,6-bis(3,4-dimethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol
SMILESCc1ccc([C@@H]2OC[C@@H]3O[C@H](c4ccc(C)c(C)c4)O[C@H](CO)[C@@H]3O2)cc1C
InChIInChI=1S/C23H28O5/c1-13-5-7-17(9-15(13)3)22-25-12-20-21(28-22)19(11-24)26-23(27-20)18-8-6-14(2)16(4)10-18/h5-10,19-24H,11-12H2,1-4H3/t19-,20+,21+,22-,23-/m1/s1
InChIKeyZOWZWHMCIRRSTI-BMXMUORJSA-N
MW384.47 g/mol
LogP3.81
Rot. Bonds3

About [(2R,4R,4aS,6R,8aS)-2,6-bis(3,4-dimethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol

[(2R,4R,4aS,6R,8aS)-2,6-bis(3,4-dimethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol (PubChem CID 129412483) has the molecular formula C23H28O5 and a molecular weight of 384.47 g/mol. Its IUPAC name is [(2R,4R,4aS,6R,8aS)-2,6-bis(3,4-dimethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol.

Molecular Properties

Compound Name[(2R,4R,4aS,6R,8aS)-2,6-bis(3,4-dimethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol
PubChem CID129412483
Molecular FormulaC23H28O5
Molecular Weight384.47 g/mol
Exact Mass384.19
IUPAC Name[(2R,4R,4aS,6R,8aS)-2,6-bis(3,4-dimethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol
SMILESCc1ccc([C@@H]2OC[C@@H]3O[C@H](c4ccc(C)c(C)c4)O[C@H](CO)[C@@H]3O2)cc1C
InChIInChI=1S/C23H28O5/c1-13-5-7-17(9-15(13)3)22-25-12-20-21(28-22)19(11-24)26-23(27-20)18-8-6-14(2)16(4)10-18/h5-10,19-24H,11-12H2,1-4H3/t19-,20+,21+,22-,23-/m1/s1
InChIKeyZOWZWHMCIRRSTI-BMXMUORJSA-N
XLogP3.81
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R,4R,4aS,6R,8aS)-2,6-bis(3,4-dimethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol 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

[(4R,4aS,8aS)-6-(3,4-dichlorophenyl)-2-(3,4-dimethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol
CID 22970686
1-[2,6-bis(3,4-dimethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol
CID 11502517
(1R)-1-[(4R,4aR,8aS)-2-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol
CID 18666592
(2S,6S)-4-ethyl-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 134171336
1-[2-(3-chloro-4-methylphenyl)-6-(4-chloro-3-methylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol
CID 18667805
(1R)-1-[(4R,4aR,8aS)-2,6-bis(3-methylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol
CID 20662858
1-[6-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol
CID 22271774
2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol;2-(4-methylphenyl)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 165074829
(2S)-2-(3,4-dimethylphenyl)oxirane
CID 40580634
[4-(hydroxymethyl)-2-naphthalen-2-yl-1,3-dioxan-5-yl]methanol
CID 152518072
(1R)-1-[(2S,4R,4aR,6R,8aS)-2,6-bis(4-methoxyphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol
CID 102288303
[(2R,4R,5R)-5-[(2S,4R,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 34174718

Frequently Asked Questions

What is the IUPAC name of [(2R,4R,4aS,6R,8aS)-2,6-bis(3,4-dimethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol?
The IUPAC name of [(2R,4R,4aS,6R,8aS)-2,6-bis(3,4-dimethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol (CID 129412483) is [(2R,4R,4aS,6R,8aS)-2,6-bis(3,4-dimethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol.
What is the SMILES notation for [(2R,4R,4aS,6R,8aS)-2,6-bis(3,4-dimethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol?
The canonical SMILES for [(2R,4R,4aS,6R,8aS)-2,6-bis(3,4-dimethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol is Cc1ccc([C@@H]2OC[C@@H]3O[C@H](c4ccc(C)c(C)c4)O[C@H](CO)[C@@H]3O2)cc1C.
What is the InChIKey of [(2R,4R,4aS,6R,8aS)-2,6-bis(3,4-dimethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol?
The InChIKey is ZOWZWHMCIRRSTI-BMXMUORJSA-N. The full InChI is InChI=1S/C23H28O5/c1-13-5-7-17(9-15(13)3)22-25-12-20-21(28-22)19(11-24)26-23(27-20)18-8-6-14(2)16(4)10-18/h5-10,19-24H,11-12H2,1-4H3/t19-,20+,21+,22-,23-/m1/s1.
What are the key properties of [(2R,4R,4aS,6R,8aS)-2,6-bis(3,4-dimethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol?
[(2R,4R,4aS,6R,8aS)-2,6-bis(3,4-dimethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol has a molecular weight of 384.47 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R,4aS,6R,8aS)-2,6-bis(3,4-dimethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol is sourced from PubChem (CID 129412483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).