6-[(E)-3-phenylprop-2-enyl]cyclohex-2-en-1-one

C15H16O — CID 155146759

IUPAC6-[(E)-3-phenylprop-2-enyl]cyclohex-2-en-1-one
SMILESO=C1C=CCCC1C/C=C/c1ccccc1
InChIInChI=1S/C15H16O/c16-15-12-5-4-10-14(15)11-6-9-13-7-2-1-3-8-13/h1-3,5-9,12,14H,4,10-11H2/b9-6+
InChIKeyIDPKYBPFNLOSFK-RMKNXTFCSA-N
MW212.29 g/mol
LogP3.63
Rot. Bonds3

About 6-[(E)-3-phenylprop-2-enyl]cyclohex-2-en-1-one

6-[(E)-3-phenylprop-2-enyl]cyclohex-2-en-1-one (PubChem CID 155146759) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 6-[(E)-3-phenylprop-2-enyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name6-[(E)-3-phenylprop-2-enyl]cyclohex-2-en-1-one
PubChem CID155146759
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name6-[(E)-3-phenylprop-2-enyl]cyclohex-2-en-1-one
SMILESO=C1C=CCCC1C/C=C/c1ccccc1
InChIInChI=1S/C15H16O/c16-15-12-5-4-10-14(15)11-6-9-13-7-2-1-3-8-13/h1-3,5-9,12,14H,4,10-11H2/b9-6+
InChIKeyIDPKYBPFNLOSFK-RMKNXTFCSA-N
XLogP3.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]cyclohex-2-en-1-one
CID 155146778
(3S)-3-[(Z)-3-phenylprop-2-enyl]oxolane-2,5-dione
CID 98547363
6-(3-phenylprop-2-enyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 76995964
(3R)-6,6-dimethyl-3-[(E)-3-phenylprop-2-enyl]oxan-2-one
CID 15415733
[(E)-3-cyclohexylprop-1-enyl]benzene
CID 22325167
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
CID 140512150
CID 140512150
(1S,2R,4R)-2-[(E)-3-phenylprop-2-enyl]bicyclo[2.2.1]heptane
CID 71507650
3-(3-phenylprop-2-enyl)piperidine
CID 141263506
(1S,5R)-8-[(E)-3-phenylprop-2-enyl]-8-azabicyclo[3.2.1]octan-3-one
CID 164887957
[(E)-2-cyclopent-2-en-1-ylethenyl]benzene
CID 14358727
5,5-dimethyl-4-[(E)-3-phenylprop-2-enyl]cyclohexane-1,3-dione
CID 58867904

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3-phenylprop-2-enyl]cyclohex-2-en-1-one?
The IUPAC name of 6-[(E)-3-phenylprop-2-enyl]cyclohex-2-en-1-one (CID 155146759) is 6-[(E)-3-phenylprop-2-enyl]cyclohex-2-en-1-one.
What is the SMILES notation for 6-[(E)-3-phenylprop-2-enyl]cyclohex-2-en-1-one?
The canonical SMILES for 6-[(E)-3-phenylprop-2-enyl]cyclohex-2-en-1-one is O=C1C=CCCC1C/C=C/c1ccccc1.
What is the InChIKey of 6-[(E)-3-phenylprop-2-enyl]cyclohex-2-en-1-one?
The InChIKey is IDPKYBPFNLOSFK-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H16O/c16-15-12-5-4-10-14(15)11-6-9-13-7-2-1-3-8-13/h1-3,5-9,12,14H,4,10-11H2/b9-6+.
What are the key properties of 6-[(E)-3-phenylprop-2-enyl]cyclohex-2-en-1-one?
6-[(E)-3-phenylprop-2-enyl]cyclohex-2-en-1-one has a molecular weight of 212.29 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-phenylprop-2-enyl]cyclohex-2-en-1-one is sourced from PubChem (CID 155146759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).