(1R)-1-[(1R,5R)-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]ethanol

C19H18O3 — CID 101078906

IUPAC(1R)-1-[(1R,5R)-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]ethanol
SMILESC[C@@H](O)[C@@]12OC=C[C@@H]1C(c1ccccc1)(c1ccccc1)O2
InChIInChI=1S/C19H18O3/c1-14(20)19-17(12-13-21-19)18(22-19,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,17,20H,1H3/t14-,17-,19+/m1/s1
InChIKeyRXBNZOOJYNMWHG-BJZITVGISA-N
MW294.35 g/mol
LogP3.20
Rot. Bonds3

About (1R)-1-[(1R,5R)-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]ethanol

(1R)-1-[(1R,5R)-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]ethanol (PubChem CID 101078906) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is (1R)-1-[(1R,5R)-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(1R,5R)-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]ethanol
PubChem CID101078906
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name(1R)-1-[(1R,5R)-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]ethanol
SMILESC[C@@H](O)[C@@]12OC=C[C@@H]1C(c1ccccc1)(c1ccccc1)O2
InChIInChI=1S/C19H18O3/c1-14(20)19-17(12-13-21-19)18(22-19,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,17,20H,1H3/t14-,17-,19+/m1/s1
InChIKeyRXBNZOOJYNMWHG-BJZITVGISA-N
XLogP3.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-[(1R,5R)-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1R,5R)-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]ethanol?
The IUPAC name of (1R)-1-[(1R,5R)-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]ethanol (CID 101078906) is (1R)-1-[(1R,5R)-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]ethanol.
What is the SMILES notation for (1R)-1-[(1R,5R)-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]ethanol?
The canonical SMILES for (1R)-1-[(1R,5R)-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]ethanol is C[C@@H](O)[C@@]12OC=C[C@@H]1C(c1ccccc1)(c1ccccc1)O2.
What is the InChIKey of (1R)-1-[(1R,5R)-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]ethanol?
The InChIKey is RXBNZOOJYNMWHG-BJZITVGISA-N. The full InChI is InChI=1S/C19H18O3/c1-14(20)19-17(12-13-21-19)18(22-19,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,17,20H,1H3/t14-,17-,19+/m1/s1.
What are the key properties of (1R)-1-[(1R,5R)-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]ethanol?
(1R)-1-[(1R,5R)-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]ethanol has a molecular weight of 294.35 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1R,5R)-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]ethanol is sourced from PubChem (CID 101078906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).