1-phenylnonane-3,5-dione

C15H20O2 — CID 14763643

IUPAC1-phenylnonane-3,5-dione
SMILESCCCCC(=O)CC(=O)CCc1ccccc1
InChIInChI=1S/C15H20O2/c1-2-3-9-14(16)12-15(17)11-10-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3
InChIKeyMTHBVVDZSCPNSA-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.34
Rot. Bonds8

About 1-phenylnonane-3,5-dione

1-phenylnonane-3,5-dione (PubChem CID 14763643) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-phenylnonane-3,5-dione.

Molecular Properties

Compound Name1-phenylnonane-3,5-dione
PubChem CID14763643
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-phenylnonane-3,5-dione
SMILESCCCCC(=O)CC(=O)CCc1ccccc1
InChIInChI=1S/C15H20O2/c1-2-3-9-14(16)12-15(17)11-10-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3
InChIKeyMTHBVVDZSCPNSA-UHFFFAOYSA-N
XLogP3.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-butoxy-5-phenylpentan-3-one
CID 115002097
butylbenzene;carbonic acid
CID 158278492
1-(4-hydroxyphenyl)heptan-3-one
CID 154262256
methanamine;1-phenylpentan-3-one
CID 167492251
carbonic acid;pentylbenzene
CID 157127683
13-phenyltridecane-2,4-dione
CID 19792481
methyl 3-oxo-6-phenylhexanoate
CID 12701554
7-chloro-1-phenylheptan-3-one
CID 57471587
1-phenylheptadecan-2-one
CID 12920609
1,9-diphenylnonan-5-one
CID 23467830
N-[(3-phenylpropanoylamino)carbamothioyl]pentanamide
CID 2301863
pentadecanoic acid;3-phenylpropylbenzene
CID 158688900

Frequently Asked Questions

What is the IUPAC name of 1-phenylnonane-3,5-dione?
The IUPAC name of 1-phenylnonane-3,5-dione (CID 14763643) is 1-phenylnonane-3,5-dione.
What is the SMILES notation for 1-phenylnonane-3,5-dione?
The canonical SMILES for 1-phenylnonane-3,5-dione is CCCCC(=O)CC(=O)CCc1ccccc1.
What is the InChIKey of 1-phenylnonane-3,5-dione?
The InChIKey is MTHBVVDZSCPNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-2-3-9-14(16)12-15(17)11-10-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3.
What are the key properties of 1-phenylnonane-3,5-dione?
1-phenylnonane-3,5-dione has a molecular weight of 232.32 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylnonane-3,5-dione is sourced from PubChem (CID 14763643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).