(2S)-2-[(Z)-2-phenylethenyl]-2,3-dihydropyran-6-one

C13H12O2 — CID 11229405

IUPAC(2S)-2-[(Z)-2-phenylethenyl]-2,3-dihydropyran-6-one
SMILESO=C1C=CC[C@@H](/C=C\c2ccccc2)O1
InChIInChI=1S/C13H12O2/c14-13-8-4-7-12(15-13)10-9-11-5-2-1-3-6-11/h1-6,8-10,12H,7H2/b10-9-/t12-/m0/s1
InChIKeyRLGHFVLWYYVMQZ-PRDAAYKISA-N
MW200.24 g/mol
LogP2.57
Rot. Bonds2

About (2S)-2-[(Z)-2-phenylethenyl]-2,3-dihydropyran-6-one

(2S)-2-[(Z)-2-phenylethenyl]-2,3-dihydropyran-6-one (PubChem CID 11229405) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is (2S)-2-[(Z)-2-phenylethenyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S)-2-[(Z)-2-phenylethenyl]-2,3-dihydropyran-6-one
PubChem CID11229405
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name(2S)-2-[(Z)-2-phenylethenyl]-2,3-dihydropyran-6-one
SMILESO=C1C=CC[C@@H](/C=C\c2ccccc2)O1
InChIInChI=1S/C13H12O2/c14-13-8-4-7-12(15-13)10-9-11-5-2-1-3-6-11/h1-6,8-10,12H,7H2/b10-9-/t12-/m0/s1
InChIKeyRLGHFVLWYYVMQZ-PRDAAYKISA-N
XLogP2.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
CID 6440856
(2S)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydropyran-6-one
CID 91990026
2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-2,3-dihydropyran-6-one
CID 122677448
2-(4-hydroxy-6-oxo-8-phenylocta-1,7-dienyl)-2,3-dihydropyran-6-one
CID 162880407
2-[[(4S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one
CID 138968854
(2R)-2-[[(2S,4R,5R,6R)-4,5-dihydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one
CID 101052051
(2R)-2-[(1E,4S,6R,8R,9E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-10-phenyldeca-1,9-dienyl]-2,3-dihydropyran-6-one
CID 134844585
(3S)-3-(2-phenylethenyl)-3,4-dihydroisochromen-1-one
CID 162808864
(4S,6R)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one
CID 10465961
(2R)-2-[(E,2R,4S)-2,4-dihydroxy-6-phenylhex-5-enyl]-2,3-dihydropyran-6-one
CID 101052038
2-[(6-oxo-2,3-dihydropyran-2-yl)methyl]-6-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one
CID 167994204
2-(4,6,8-trihydroxy-10-phenyldec-1-enyl)-2,3-dihydropyran-6-one
CID 74438088

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(Z)-2-phenylethenyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2S)-2-[(Z)-2-phenylethenyl]-2,3-dihydropyran-6-one (CID 11229405) is (2S)-2-[(Z)-2-phenylethenyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S)-2-[(Z)-2-phenylethenyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2S)-2-[(Z)-2-phenylethenyl]-2,3-dihydropyran-6-one is O=C1C=CC[C@@H](/C=C\c2ccccc2)O1.
What is the InChIKey of (2S)-2-[(Z)-2-phenylethenyl]-2,3-dihydropyran-6-one?
The InChIKey is RLGHFVLWYYVMQZ-PRDAAYKISA-N. The full InChI is InChI=1S/C13H12O2/c14-13-8-4-7-12(15-13)10-9-11-5-2-1-3-6-11/h1-6,8-10,12H,7H2/b10-9-/t12-/m0/s1.
What are the key properties of (2S)-2-[(Z)-2-phenylethenyl]-2,3-dihydropyran-6-one?
(2S)-2-[(Z)-2-phenylethenyl]-2,3-dihydropyran-6-one has a molecular weight of 200.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(Z)-2-phenylethenyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 11229405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).