(2R,4R)-2-methyl-4-(2-naphthalen-2-yl-1,3-benzodioxol-5-yl)oxan-4-ol

C23H22O4 — CID 67833934

IUPAC(2R,4R)-2-methyl-4-(2-naphthalen-2-yl-1,3-benzodioxol-5-yl)oxan-4-ol
SMILESC[C@@H]1C[C@@](O)(c2ccc3c(c2)OC(c2ccc4ccccc4c2)O3)CCO1
InChIInChI=1S/C23H22O4/c1-15-14-23(24,10-11-25-15)19-8-9-20-21(13-19)27-22(26-20)18-7-6-16-4-2-3-5-17(16)12-18/h2-9,12-13,15,22,24H,10-11,14H2,1H3/t15-,22?,23-/m1/s1
InChIKeyYJXLSHFRTSVSSQ-FQFNWLPQSA-N
MW362.43 g/mol
LogP4.70
Rot. Bonds2

About (2R,4R)-2-methyl-4-(2-naphthalen-2-yl-1,3-benzodioxol-5-yl)oxan-4-ol

(2R,4R)-2-methyl-4-(2-naphthalen-2-yl-1,3-benzodioxol-5-yl)oxan-4-ol (PubChem CID 67833934) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is (2R,4R)-2-methyl-4-(2-naphthalen-2-yl-1,3-benzodioxol-5-yl)oxan-4-ol.

Molecular Properties

Compound Name(2R,4R)-2-methyl-4-(2-naphthalen-2-yl-1,3-benzodioxol-5-yl)oxan-4-ol
PubChem CID67833934
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name(2R,4R)-2-methyl-4-(2-naphthalen-2-yl-1,3-benzodioxol-5-yl)oxan-4-ol
SMILESC[C@@H]1C[C@@](O)(c2ccc3c(c2)OC(c2ccc4ccccc4c2)O3)CCO1
InChIInChI=1S/C23H22O4/c1-15-14-23(24,10-11-25-15)19-8-9-20-21(13-19)27-22(26-20)18-7-6-16-4-2-3-5-17(16)12-18/h2-9,12-13,15,22,24H,10-11,14H2,1H3/t15-,22?,23-/m1/s1
InChIKeyYJXLSHFRTSVSSQ-FQFNWLPQSA-N
XLogP4.70
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,4R)-2-methyl-4-(2-naphthalen-2-yl-1,3-benzodioxol-5-yl)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

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-methyl-4-(2-naphthalen-2-yl-1,3-benzodioxol-5-yl)oxan-4-ol?
The IUPAC name of (2R,4R)-2-methyl-4-(2-naphthalen-2-yl-1,3-benzodioxol-5-yl)oxan-4-ol (CID 67833934) is (2R,4R)-2-methyl-4-(2-naphthalen-2-yl-1,3-benzodioxol-5-yl)oxan-4-ol.
What is the SMILES notation for (2R,4R)-2-methyl-4-(2-naphthalen-2-yl-1,3-benzodioxol-5-yl)oxan-4-ol?
The canonical SMILES for (2R,4R)-2-methyl-4-(2-naphthalen-2-yl-1,3-benzodioxol-5-yl)oxan-4-ol is C[C@@H]1C[C@@](O)(c2ccc3c(c2)OC(c2ccc4ccccc4c2)O3)CCO1.
What is the InChIKey of (2R,4R)-2-methyl-4-(2-naphthalen-2-yl-1,3-benzodioxol-5-yl)oxan-4-ol?
The InChIKey is YJXLSHFRTSVSSQ-FQFNWLPQSA-N. The full InChI is InChI=1S/C23H22O4/c1-15-14-23(24,10-11-25-15)19-8-9-20-21(13-19)27-22(26-20)18-7-6-16-4-2-3-5-17(16)12-18/h2-9,12-13,15,22,24H,10-11,14H2,1H3/t15-,22?,23-/m1/s1.
What are the key properties of (2R,4R)-2-methyl-4-(2-naphthalen-2-yl-1,3-benzodioxol-5-yl)oxan-4-ol?
(2R,4R)-2-methyl-4-(2-naphthalen-2-yl-1,3-benzodioxol-5-yl)oxan-4-ol has a molecular weight of 362.43 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-methyl-4-(2-naphthalen-2-yl-1,3-benzodioxol-5-yl)oxan-4-ol is sourced from PubChem (CID 67833934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).