(E)-1,7-diphenylhept-6-en-3-one

C19H20O — CID 44593373

IUPAC(E)-1,7-diphenylhept-6-en-3-one
SMILESO=C(CC/C=C/c1ccccc1)CCc1ccccc1
InChIInChI=1S/C19H20O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-7,9-13H,8,14-16H2/b13-7+
InChIKeyVNFWNGSEJXPCSW-NTUHNPAUSA-N
MW264.37 g/mol
LogP4.68
Rot. Bonds7

About (E)-1,7-diphenylhept-6-en-3-one

(E)-1,7-diphenylhept-6-en-3-one (PubChem CID 44593373) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is (E)-1,7-diphenylhept-6-en-3-one.

Molecular Properties

Compound Name(E)-1,7-diphenylhept-6-en-3-one
PubChem CID44593373
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name(E)-1,7-diphenylhept-6-en-3-one
SMILESO=C(CC/C=C/c1ccccc1)CCc1ccccc1
InChIInChI=1S/C19H20O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-7,9-13H,8,14-16H2/b13-7+
InChIKeyVNFWNGSEJXPCSW-NTUHNPAUSA-N
XLogP4.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-1,7-diphenylhept-6-en-3-one?
The IUPAC name of (E)-1,7-diphenylhept-6-en-3-one (CID 44593373) is (E)-1,7-diphenylhept-6-en-3-one.
What is the SMILES notation for (E)-1,7-diphenylhept-6-en-3-one?
The canonical SMILES for (E)-1,7-diphenylhept-6-en-3-one is O=C(CC/C=C/c1ccccc1)CCc1ccccc1.
What is the InChIKey of (E)-1,7-diphenylhept-6-en-3-one?
The InChIKey is VNFWNGSEJXPCSW-NTUHNPAUSA-N. The full InChI is InChI=1S/C19H20O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-7,9-13H,8,14-16H2/b13-7+.
What are the key properties of (E)-1,7-diphenylhept-6-en-3-one?
(E)-1,7-diphenylhept-6-en-3-one has a molecular weight of 264.37 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,7-diphenylhept-6-en-3-one is sourced from PubChem (CID 44593373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).