(2S,3S)-3-methyl-2-naphthalen-2-yl-2,3-dihydropyran-6-one

C16H14O2 — CID 101160062

IUPAC(2S,3S)-3-methyl-2-naphthalen-2-yl-2,3-dihydropyran-6-one
SMILESC[C@H]1C=CC(=O)O[C@@H]1c1ccc2ccccc2c1
InChIInChI=1S/C16H14O2/c1-11-6-9-15(17)18-16(11)14-8-7-12-4-2-3-5-13(12)10-14/h2-11,16H,1H3/t11-,16-/m0/s1
InChIKeyYFOBJHNFAZNCRG-ZBEGNZNMSA-N
MW238.29 g/mol
LogP3.63
Rot. Bonds1

About (2S,3S)-3-methyl-2-naphthalen-2-yl-2,3-dihydropyran-6-one

(2S,3S)-3-methyl-2-naphthalen-2-yl-2,3-dihydropyran-6-one (PubChem CID 101160062) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-naphthalen-2-yl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-naphthalen-2-yl-2,3-dihydropyran-6-one
PubChem CID101160062
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name(2S,3S)-3-methyl-2-naphthalen-2-yl-2,3-dihydropyran-6-one
SMILESC[C@H]1C=CC(=O)O[C@@H]1c1ccc2ccccc2c1
InChIInChI=1S/C16H14O2/c1-11-6-9-15(17)18-16(11)14-8-7-12-4-2-3-5-13(12)10-14/h2-11,16H,1H3/t11-,16-/m0/s1
InChIKeyYFOBJHNFAZNCRG-ZBEGNZNMSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-naphthalen-2-yl-2,3-dihydropyran-6-one?
The IUPAC name of (2S,3S)-3-methyl-2-naphthalen-2-yl-2,3-dihydropyran-6-one (CID 101160062) is (2S,3S)-3-methyl-2-naphthalen-2-yl-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S,3S)-3-methyl-2-naphthalen-2-yl-2,3-dihydropyran-6-one?
The canonical SMILES for (2S,3S)-3-methyl-2-naphthalen-2-yl-2,3-dihydropyran-6-one is C[C@H]1C=CC(=O)O[C@@H]1c1ccc2ccccc2c1.
What is the InChIKey of (2S,3S)-3-methyl-2-naphthalen-2-yl-2,3-dihydropyran-6-one?
The InChIKey is YFOBJHNFAZNCRG-ZBEGNZNMSA-N. The full InChI is InChI=1S/C16H14O2/c1-11-6-9-15(17)18-16(11)14-8-7-12-4-2-3-5-13(12)10-14/h2-11,16H,1H3/t11-,16-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-naphthalen-2-yl-2,3-dihydropyran-6-one?
(2S,3S)-3-methyl-2-naphthalen-2-yl-2,3-dihydropyran-6-one has a molecular weight of 238.29 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-naphthalen-2-yl-2,3-dihydropyran-6-one is sourced from PubChem (CID 101160062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).