1-cyclohexa-2,4-dien-1-yl-3-phenylpropan-2-one

C15H16O — CID 70951910

IUPAC1-cyclohexa-2,4-dien-1-yl-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)CC1C=CC=CC1
InChIInChI=1S/C15H16O/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-9,14H,10-12H2
InChIKeyFBLKCUWDSVSJAE-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.32
Rot. Bonds4

About 1-cyclohexa-2,4-dien-1-yl-3-phenylpropan-2-one

1-cyclohexa-2,4-dien-1-yl-3-phenylpropan-2-one (PubChem CID 70951910) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-cyclohexa-2,4-dien-1-yl-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-cyclohexa-2,4-dien-1-yl-3-phenylpropan-2-one
PubChem CID70951910
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name1-cyclohexa-2,4-dien-1-yl-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)CC1C=CC=CC1
InChIInChI=1S/C15H16O/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-9,14H,10-12H2
InChIKeyFBLKCUWDSVSJAE-UHFFFAOYSA-N
XLogP3.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-2,4-dien-1-yl-3-phenylpropan-2-one?
The IUPAC name of 1-cyclohexa-2,4-dien-1-yl-3-phenylpropan-2-one (CID 70951910) is 1-cyclohexa-2,4-dien-1-yl-3-phenylpropan-2-one.
What is the SMILES notation for 1-cyclohexa-2,4-dien-1-yl-3-phenylpropan-2-one?
The canonical SMILES for 1-cyclohexa-2,4-dien-1-yl-3-phenylpropan-2-one is O=C(Cc1ccccc1)CC1C=CC=CC1.
What is the InChIKey of 1-cyclohexa-2,4-dien-1-yl-3-phenylpropan-2-one?
The InChIKey is FBLKCUWDSVSJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-9,14H,10-12H2.
What are the key properties of 1-cyclohexa-2,4-dien-1-yl-3-phenylpropan-2-one?
1-cyclohexa-2,4-dien-1-yl-3-phenylpropan-2-one has a molecular weight of 212.29 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-2,4-dien-1-yl-3-phenylpropan-2-one is sourced from PubChem (CID 70951910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).