(1R,5R,9S)-3-phenyl-9-propoxy-2,4,7-trioxabicyclo[3.3.1]nonan-6-ol

C15H20O5 — CID 68645943

IUPAC(1R,5R,9S)-3-phenyl-9-propoxy-2,4,7-trioxabicyclo[3.3.1]nonan-6-ol
SMILESCCCO[C@H]1[C@H]2COC(O)[C@@H]1OC(c1ccccc1)O2
InChIInChI=1S/C15H20O5/c1-2-8-17-12-11-9-18-14(16)13(12)20-15(19-11)10-6-4-3-5-7-10/h3-7,11-16H,2,8-9H2,1H3/t11-,12+,13-,14?,15?/m1/s1
InChIKeyQLWCJDVYZMYQOY-OEGGNGQFSA-N
MW280.32 g/mol
LogP1.61
Rot. Bonds4

About (1R,5R,9S)-3-phenyl-9-propoxy-2,4,7-trioxabicyclo[3.3.1]nonan-6-ol

(1R,5R,9S)-3-phenyl-9-propoxy-2,4,7-trioxabicyclo[3.3.1]nonan-6-ol (PubChem CID 68645943) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is (1R,5R,9S)-3-phenyl-9-propoxy-2,4,7-trioxabicyclo[3.3.1]nonan-6-ol.

Molecular Properties

Compound Name(1R,5R,9S)-3-phenyl-9-propoxy-2,4,7-trioxabicyclo[3.3.1]nonan-6-ol
PubChem CID68645943
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name(1R,5R,9S)-3-phenyl-9-propoxy-2,4,7-trioxabicyclo[3.3.1]nonan-6-ol
SMILESCCCO[C@H]1[C@H]2COC(O)[C@@H]1OC(c1ccccc1)O2
InChIInChI=1S/C15H20O5/c1-2-8-17-12-11-9-18-14(16)13(12)20-15(19-11)10-6-4-3-5-7-10/h3-7,11-16H,2,8-9H2,1H3/t11-,12+,13-,14?,15?/m1/s1
InChIKeyQLWCJDVYZMYQOY-OEGGNGQFSA-N
XLogP1.61
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,5R,9S)-3-phenyl-9-propoxy-2,4,7-trioxabicyclo[3.3.1]nonan-6-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,6S)-4-ethyl-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 134171336
6-ethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 73455690
ethyl (2S)-2-[(4R,4aR,8aS)-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-2-hydroxyacetate
CID 12881837
4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 630953
(4aR,6R,7R,8S,8aR)-7-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,8-diol
CID 67603919
(4aR,7R,8R,8aR)-2-phenyl-6-(2-trimethylsilylethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 91030531
(7S,8R)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol
CID 44514113
(2S,4aS,6R,7S,8S,8aR)-8-amino-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 97042179
(4S,5R)-4-[(4R,5S)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 102461331
(4S,5S)-4-[(4S,5S)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 176837277
(4S,5R)-4-[(4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 90322628
(5R)-4-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 22309099

Frequently Asked Questions

What is the IUPAC name of (1R,5R,9S)-3-phenyl-9-propoxy-2,4,7-trioxabicyclo[3.3.1]nonan-6-ol?
The IUPAC name of (1R,5R,9S)-3-phenyl-9-propoxy-2,4,7-trioxabicyclo[3.3.1]nonan-6-ol (CID 68645943) is (1R,5R,9S)-3-phenyl-9-propoxy-2,4,7-trioxabicyclo[3.3.1]nonan-6-ol.
What is the SMILES notation for (1R,5R,9S)-3-phenyl-9-propoxy-2,4,7-trioxabicyclo[3.3.1]nonan-6-ol?
The canonical SMILES for (1R,5R,9S)-3-phenyl-9-propoxy-2,4,7-trioxabicyclo[3.3.1]nonan-6-ol is CCCO[C@H]1[C@H]2COC(O)[C@@H]1OC(c1ccccc1)O2.
What is the InChIKey of (1R,5R,9S)-3-phenyl-9-propoxy-2,4,7-trioxabicyclo[3.3.1]nonan-6-ol?
The InChIKey is QLWCJDVYZMYQOY-OEGGNGQFSA-N. The full InChI is InChI=1S/C15H20O5/c1-2-8-17-12-11-9-18-14(16)13(12)20-15(19-11)10-6-4-3-5-7-10/h3-7,11-16H,2,8-9H2,1H3/t11-,12+,13-,14?,15?/m1/s1.
What are the key properties of (1R,5R,9S)-3-phenyl-9-propoxy-2,4,7-trioxabicyclo[3.3.1]nonan-6-ol?
(1R,5R,9S)-3-phenyl-9-propoxy-2,4,7-trioxabicyclo[3.3.1]nonan-6-ol has a molecular weight of 280.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,9S)-3-phenyl-9-propoxy-2,4,7-trioxabicyclo[3.3.1]nonan-6-ol is sourced from PubChem (CID 68645943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).