(2R)-2-[(4-methyl-4,4a-dihydronaphthalen-2-yl)oxy]-2H-furan-5-one

C15H14O3 — CID 153341711

IUPAC(2R)-2-[(4-methyl-4,4a-dihydronaphthalen-2-yl)oxy]-2H-furan-5-one
SMILESCC1C=C(O[C@H]2C=CC(=O)O2)C=C2C=CC=CC21
InChIInChI=1S/C15H14O3/c1-10-8-12(17-15-7-6-14(16)18-15)9-11-4-2-3-5-13(10)11/h2-10,13,15H,1H3/t10?,13?,15-/m1/s1
InChIKeyXJNGRFLERJEFGY-JHANDDDOSA-N
MW242.27 g/mol
LogP2.64
Rot. Bonds2

About (2R)-2-[(4-methyl-4,4a-dihydronaphthalen-2-yl)oxy]-2H-furan-5-one

(2R)-2-[(4-methyl-4,4a-dihydronaphthalen-2-yl)oxy]-2H-furan-5-one (PubChem CID 153341711) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is (2R)-2-[(4-methyl-4,4a-dihydronaphthalen-2-yl)oxy]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(4-methyl-4,4a-dihydronaphthalen-2-yl)oxy]-2H-furan-5-one
PubChem CID153341711
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name(2R)-2-[(4-methyl-4,4a-dihydronaphthalen-2-yl)oxy]-2H-furan-5-one
SMILESCC1C=C(O[C@H]2C=CC(=O)O2)C=C2C=CC=CC21
InChIInChI=1S/C15H14O3/c1-10-8-12(17-15-7-6-14(16)18-15)9-11-4-2-3-5-13(10)11/h2-10,13,15H,1H3/t10?,13?,15-/m1/s1
InChIKeyXJNGRFLERJEFGY-JHANDDDOSA-N
XLogP2.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclohex-3-en-1-yl-6-methyl-1,3-dioxin-4-one
CID 15038615

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methyl-4,4a-dihydronaphthalen-2-yl)oxy]-2H-furan-5-one?
The IUPAC name of (2R)-2-[(4-methyl-4,4a-dihydronaphthalen-2-yl)oxy]-2H-furan-5-one (CID 153341711) is (2R)-2-[(4-methyl-4,4a-dihydronaphthalen-2-yl)oxy]-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(4-methyl-4,4a-dihydronaphthalen-2-yl)oxy]-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(4-methyl-4,4a-dihydronaphthalen-2-yl)oxy]-2H-furan-5-one is CC1C=C(O[C@H]2C=CC(=O)O2)C=C2C=CC=CC21.
What is the InChIKey of (2R)-2-[(4-methyl-4,4a-dihydronaphthalen-2-yl)oxy]-2H-furan-5-one?
The InChIKey is XJNGRFLERJEFGY-JHANDDDOSA-N. The full InChI is InChI=1S/C15H14O3/c1-10-8-12(17-15-7-6-14(16)18-15)9-11-4-2-3-5-13(10)11/h2-10,13,15H,1H3/t10?,13?,15-/m1/s1.
What are the key properties of (2R)-2-[(4-methyl-4,4a-dihydronaphthalen-2-yl)oxy]-2H-furan-5-one?
(2R)-2-[(4-methyl-4,4a-dihydronaphthalen-2-yl)oxy]-2H-furan-5-one has a molecular weight of 242.27 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methyl-4,4a-dihydronaphthalen-2-yl)oxy]-2H-furan-5-one is sourced from PubChem (CID 153341711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).