(2R)-2-methyl-2-[(E)-2-phenylethenyl]-3H-pyran-6-one

C14H14O2 — CID 73349124

IUPAC(2R)-2-methyl-2-[(E)-2-phenylethenyl]-3H-pyran-6-one
SMILESC[C@]1(/C=C/c2ccccc2)CC=CC(=O)O1
InChIInChI=1S/C14H14O2/c1-14(10-5-8-13(15)16-14)11-9-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3/b11-9+/t14-/m1/s1
InChIKeyNXLVFAGXIPLETC-CFRMROPGSA-N
MW214.26 g/mol
LogP2.96
Rot. Bonds2

About (2R)-2-methyl-2-[(E)-2-phenylethenyl]-3H-pyran-6-one

(2R)-2-methyl-2-[(E)-2-phenylethenyl]-3H-pyran-6-one (PubChem CID 73349124) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2R)-2-methyl-2-[(E)-2-phenylethenyl]-3H-pyran-6-one.

Molecular Properties

Compound Name(2R)-2-methyl-2-[(E)-2-phenylethenyl]-3H-pyran-6-one
PubChem CID73349124
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name(2R)-2-methyl-2-[(E)-2-phenylethenyl]-3H-pyran-6-one
SMILESC[C@]1(/C=C/c2ccccc2)CC=CC(=O)O1
InChIInChI=1S/C14H14O2/c1-14(10-5-8-13(15)16-14)11-9-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3/b11-9+/t14-/m1/s1
InChIKeyNXLVFAGXIPLETC-CFRMROPGSA-N
XLogP2.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-[(E)-2-phenylethenyl]-3H-pyran-6-one?
The IUPAC name of (2R)-2-methyl-2-[(E)-2-phenylethenyl]-3H-pyran-6-one (CID 73349124) is (2R)-2-methyl-2-[(E)-2-phenylethenyl]-3H-pyran-6-one.
What is the SMILES notation for (2R)-2-methyl-2-[(E)-2-phenylethenyl]-3H-pyran-6-one?
The canonical SMILES for (2R)-2-methyl-2-[(E)-2-phenylethenyl]-3H-pyran-6-one is C[C@]1(/C=C/c2ccccc2)CC=CC(=O)O1.
What is the InChIKey of (2R)-2-methyl-2-[(E)-2-phenylethenyl]-3H-pyran-6-one?
The InChIKey is NXLVFAGXIPLETC-CFRMROPGSA-N. The full InChI is InChI=1S/C14H14O2/c1-14(10-5-8-13(15)16-14)11-9-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3/b11-9+/t14-/m1/s1.
What are the key properties of (2R)-2-methyl-2-[(E)-2-phenylethenyl]-3H-pyran-6-one?
(2R)-2-methyl-2-[(E)-2-phenylethenyl]-3H-pyran-6-one has a molecular weight of 214.26 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-[(E)-2-phenylethenyl]-3H-pyran-6-one is sourced from PubChem (CID 73349124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).