2-phenyl-1-(3-tricyclo[3.2.1.02,4]oct-6-enyl)ethanone

C16H16O — CID 102493634

IUPAC2-phenyl-1-(3-tricyclo[3.2.1.02,4]oct-6-enyl)ethanone
SMILESO=C(Cc1ccccc1)C1C2C3C=CC(C3)C12
InChIInChI=1S/C16H16O/c17-13(8-10-4-2-1-3-5-10)16-14-11-6-7-12(9-11)15(14)16/h1-7,11-12,14-16H,8-9H2
InChIKeyIWSNTCIDXXPETQ-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.87
Rot. Bonds3

About 2-phenyl-1-(3-tricyclo[3.2.1.02,4]oct-6-enyl)ethanone

2-phenyl-1-(3-tricyclo[3.2.1.02,4]oct-6-enyl)ethanone (PubChem CID 102493634) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-phenyl-1-(3-tricyclo[3.2.1.02,4]oct-6-enyl)ethanone.

Molecular Properties

Compound Name2-phenyl-1-(3-tricyclo[3.2.1.02,4]oct-6-enyl)ethanone
PubChem CID102493634
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name2-phenyl-1-(3-tricyclo[3.2.1.02,4]oct-6-enyl)ethanone
SMILESO=C(Cc1ccccc1)C1C2C3C=CC(C3)C12
InChIInChI=1S/C16H16O/c17-13(8-10-4-2-1-3-5-10)16-14-11-6-7-12(9-11)15(14)16/h1-7,11-12,14-16H,8-9H2
InChIKeyIWSNTCIDXXPETQ-UHFFFAOYSA-N
XLogP2.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(1R,2S,3R,4S)-3-acetyl-2-bicyclo[2.2.1]hept-5-enyl]-2-phenylethanone
CID 10777333
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-phenylethanone
CID 116580664
N-[(1R,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-2-phenylacetamide
CID 6543642
2-phenylacetic acid;silver
CID 50912513
2-phenylacetic acid;dihydrate
CID 168967514
copper 2-phenylacetic acid
CID 54609410
tris(2-phenylacetic acid);rhodium
CID 11168112
(1S,2R,3S,4R)-3-(dibenzylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 99806225
(1R,2S,3S,4S)-3-phenylmethoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 800670
[(1R,2R,3S,4R)-3-benzoyl-2-bicyclo[2.2.1]hept-5-enyl]-phenylmethanone
CID 98136767
N-[(1S,4R,5S,6R)-5,6-dihydroxy-4-[(2-phenylacetyl)amino]cyclohex-2-en-1-yl]-2-phenylacetamide
CID 102505387
formaldehyde;2-phenylacetic acid
CID 70638018

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(3-tricyclo[3.2.1.02,4]oct-6-enyl)ethanone?
The IUPAC name of 2-phenyl-1-(3-tricyclo[3.2.1.02,4]oct-6-enyl)ethanone (CID 102493634) is 2-phenyl-1-(3-tricyclo[3.2.1.02,4]oct-6-enyl)ethanone.
What is the SMILES notation for 2-phenyl-1-(3-tricyclo[3.2.1.02,4]oct-6-enyl)ethanone?
The canonical SMILES for 2-phenyl-1-(3-tricyclo[3.2.1.02,4]oct-6-enyl)ethanone is O=C(Cc1ccccc1)C1C2C3C=CC(C3)C12.
What is the InChIKey of 2-phenyl-1-(3-tricyclo[3.2.1.02,4]oct-6-enyl)ethanone?
The InChIKey is IWSNTCIDXXPETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c17-13(8-10-4-2-1-3-5-10)16-14-11-6-7-12(9-11)15(14)16/h1-7,11-12,14-16H,8-9H2.
What are the key properties of 2-phenyl-1-(3-tricyclo[3.2.1.02,4]oct-6-enyl)ethanone?
2-phenyl-1-(3-tricyclo[3.2.1.02,4]oct-6-enyl)ethanone has a molecular weight of 224.30 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(3-tricyclo[3.2.1.02,4]oct-6-enyl)ethanone is sourced from PubChem (CID 102493634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).