[(1R,2R,4S,5R)-4-naphthalen-1-yl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol

C15H14O3 — CID 57164696

IUPAC[(1R,2R,4S,5R)-4-naphthalen-1-yl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
SMILESOC[C@H]1O[C@@H](c2cccc3ccccc23)[C@H]2O[C@@H]21
InChIInChI=1S/C15H14O3/c16-8-12-14-15(18-14)13(17-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-16H,8H2/t12-,13+,14-,15-/m1/s1
InChIKeyGWTDRSKBBGFWPA-LXTVHRRPSA-N
MW242.27 g/mol
LogP2.04
Rot. Bonds2

About [(1R,2R,4S,5R)-4-naphthalen-1-yl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol

[(1R,2R,4S,5R)-4-naphthalen-1-yl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol (PubChem CID 57164696) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is [(1R,2R,4S,5R)-4-naphthalen-1-yl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol.

Molecular Properties

Compound Name[(1R,2R,4S,5R)-4-naphthalen-1-yl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
PubChem CID57164696
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name[(1R,2R,4S,5R)-4-naphthalen-1-yl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
SMILESOC[C@H]1O[C@@H](c2cccc3ccccc23)[C@H]2O[C@@H]21
InChIInChI=1S/C15H14O3/c16-8-12-14-15(18-14)13(17-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-16H,8H2/t12-,13+,14-,15-/m1/s1
InChIKeyGWTDRSKBBGFWPA-LXTVHRRPSA-N
XLogP2.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R,4S,5R)-4-naphthalen-1-yl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol?
The IUPAC name of [(1R,2R,4S,5R)-4-naphthalen-1-yl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol (CID 57164696) is [(1R,2R,4S,5R)-4-naphthalen-1-yl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol.
What is the SMILES notation for [(1R,2R,4S,5R)-4-naphthalen-1-yl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol?
The canonical SMILES for [(1R,2R,4S,5R)-4-naphthalen-1-yl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol is OC[C@H]1O[C@@H](c2cccc3ccccc23)[C@H]2O[C@@H]21.
What is the InChIKey of [(1R,2R,4S,5R)-4-naphthalen-1-yl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol?
The InChIKey is GWTDRSKBBGFWPA-LXTVHRRPSA-N. The full InChI is InChI=1S/C15H14O3/c16-8-12-14-15(18-14)13(17-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-16H,8H2/t12-,13+,14-,15-/m1/s1.
What are the key properties of [(1R,2R,4S,5R)-4-naphthalen-1-yl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol?
[(1R,2R,4S,5R)-4-naphthalen-1-yl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol has a molecular weight of 242.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4S,5R)-4-naphthalen-1-yl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol is sourced from PubChem (CID 57164696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).