2,8-diphenylnona-2,7-dien-5-one

C21H22O — CID 139864359

IUPAC2,8-diphenylnona-2,7-dien-5-one
SMILESCC(=CCC(=O)CC=C(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22O/c1-17(19-9-5-3-6-10-19)13-15-21(22)16-14-18(2)20-11-7-4-8-12-20/h3-14H,15-16H2,1-2H3
InChIKeyNBXVMGHVBCZCMM-UHFFFAOYSA-N
MW290.41 g/mol
LogP5.54
Rot. Bonds6

About 2,8-diphenylnona-2,7-dien-5-one

2,8-diphenylnona-2,7-dien-5-one (PubChem CID 139864359) has the molecular formula C21H22O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2,8-diphenylnona-2,7-dien-5-one.

Molecular Properties

Compound Name2,8-diphenylnona-2,7-dien-5-one
PubChem CID139864359
Molecular FormulaC21H22O
Molecular Weight290.41 g/mol
Exact Mass290.17
IUPAC Name2,8-diphenylnona-2,7-dien-5-one
SMILESCC(=CCC(=O)CC=C(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22O/c1-17(19-9-5-3-6-10-19)13-15-21(22)16-14-18(2)20-11-7-4-8-12-20/h3-14H,15-16H2,1-2H3
InChIKeyNBXVMGHVBCZCMM-UHFFFAOYSA-N
XLogP5.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(2Z)-2-(3-phenylbut-2-enylhydrazinylidene)propanoic acid
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ethane;4-phenylpent-3-en-2-one
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(E)-4-(methylamino)-1-phenylpent-3-en-1-one
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Frequently Asked Questions

What is the IUPAC name of 2,8-diphenylnona-2,7-dien-5-one?
The IUPAC name of 2,8-diphenylnona-2,7-dien-5-one (CID 139864359) is 2,8-diphenylnona-2,7-dien-5-one.
What is the SMILES notation for 2,8-diphenylnona-2,7-dien-5-one?
The canonical SMILES for 2,8-diphenylnona-2,7-dien-5-one is CC(=CCC(=O)CC=C(C)c1ccccc1)c1ccccc1.
What is the InChIKey of 2,8-diphenylnona-2,7-dien-5-one?
The InChIKey is NBXVMGHVBCZCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O/c1-17(19-9-5-3-6-10-19)13-15-21(22)16-14-18(2)20-11-7-4-8-12-20/h3-14H,15-16H2,1-2H3.
What are the key properties of 2,8-diphenylnona-2,7-dien-5-one?
2,8-diphenylnona-2,7-dien-5-one has a molecular weight of 290.41 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diphenylnona-2,7-dien-5-one is sourced from PubChem (CID 139864359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).