2-[(E,1S)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-one

C14H14O2 — CID 46193327

IUPAC2-[(E,1S)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-one
SMILESO=C1CCC=C1[C@@H](O)/C=C/c1ccccc1
InChIInChI=1S/C14H14O2/c15-13-8-4-7-12(13)14(16)10-9-11-5-2-1-3-6-11/h1-3,5-7,9-10,14,16H,4,8H2/b10-9+/t14-/m0/s1
InChIKeyVKFUEIDBHYCHEM-HBWSCVEGSA-N
MW214.26 g/mol
LogP2.35
Rot. Bonds3

About 2-[(E,1S)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-one

2-[(E,1S)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-one (PubChem CID 46193327) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[(E,1S)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[(E,1S)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-one
PubChem CID46193327
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name2-[(E,1S)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-one
SMILESO=C1CCC=C1[C@@H](O)/C=C/c1ccccc1
InChIInChI=1S/C14H14O2/c15-13-8-4-7-12(13)14(16)10-9-11-5-2-1-3-6-11/h1-3,5-7,9-10,14,16H,4,8H2/b10-9+/t14-/m0/s1
InChIKeyVKFUEIDBHYCHEM-HBWSCVEGSA-N
XLogP2.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-2-hydroxy-4-phenylbut-3-enyl]cyclohex-2-en-1-one
CID 102076524
3-phenylprop-2-ene-1,1-diol
CID 54432533
(E,2S)-1,1,1-tribromo-4-phenylbut-3-en-2-ol
CID 129409004
2-ethenyl-4-phenylbut-3-enoic acid
CID 54369219
sodium (E)-1-hydroxy-3-phenylprop-2-ene-1-sulfonic acid
CID 54600779
chloroethene;2-ethenyl-4-phenylbut-3-enoic acid
CID 88778959
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
1-phenylpent-1-en-4-yn-3-ol
CID 570771
(1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol
CID 122402908
[(E,1S)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid
CID 11106709
2-(2-oxoazetidin-1-yl)-4-phenylbut-3-enoic acid
CID 70098226
(E)-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)prop-2-en-1-ol
CID 122381477

Frequently Asked Questions

What is the IUPAC name of 2-[(E,1S)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-one?
The IUPAC name of 2-[(E,1S)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-one (CID 46193327) is 2-[(E,1S)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-one.
What is the SMILES notation for 2-[(E,1S)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-one?
The canonical SMILES for 2-[(E,1S)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-one is O=C1CCC=C1[C@@H](O)/C=C/c1ccccc1.
What is the InChIKey of 2-[(E,1S)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-one?
The InChIKey is VKFUEIDBHYCHEM-HBWSCVEGSA-N. The full InChI is InChI=1S/C14H14O2/c15-13-8-4-7-12(13)14(16)10-9-11-5-2-1-3-6-11/h1-3,5-7,9-10,14,16H,4,8H2/b10-9+/t14-/m0/s1.
What are the key properties of 2-[(E,1S)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-one?
2-[(E,1S)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-one has a molecular weight of 214.26 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E,1S)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-one is sourced from PubChem (CID 46193327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).