1-[4-(2,4-dichlorobenzoyl)phenyl]nonan-1-one

C22H24Cl2O2 — CID 158169372

IUPAC1-[4-(2,4-dichlorobenzoyl)phenyl]nonan-1-one
SMILESCCCCCCCCC(=O)c1ccc(C(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C22H24Cl2O2/c1-2-3-4-5-6-7-8-21(25)16-9-11-17(12-10-16)22(26)19-14-13-18(23)15-20(19)24/h9-15H,2-8H2,1H3
InChIKeyFOZKVYYDBFKBMY-UHFFFAOYSA-N
MW391.34 g/mol
LogP7.16
Rot. Bonds10

About 1-[4-(2,4-dichlorobenzoyl)phenyl]nonan-1-one

1-[4-(2,4-dichlorobenzoyl)phenyl]nonan-1-one (PubChem CID 158169372) has the molecular formula C22H24Cl2O2 and a molecular weight of 391.34 g/mol. Its IUPAC name is 1-[4-(2,4-dichlorobenzoyl)phenyl]nonan-1-one.

Molecular Properties

Compound Name1-[4-(2,4-dichlorobenzoyl)phenyl]nonan-1-one
PubChem CID158169372
Molecular FormulaC22H24Cl2O2
Molecular Weight391.34 g/mol
Exact Mass390.12
IUPAC Name1-[4-(2,4-dichlorobenzoyl)phenyl]nonan-1-one
SMILESCCCCCCCCC(=O)c1ccc(C(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C22H24Cl2O2/c1-2-3-4-5-6-7-8-21(25)16-9-11-17(12-10-16)22(26)19-14-13-18(23)15-20(19)24/h9-15H,2-8H2,1H3
InChIKeyFOZKVYYDBFKBMY-UHFFFAOYSA-N
XLogP7.16
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.34
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dichlorophenyl)hexan-1-one
CID 57230005
1-(4-chlorophenyl)octadecan-1-one
CID 3660100
1-(4-chlorophenyl)heptan-1-one
CID 12510889
1-(2,4-dichlorophenyl)decane-1,3-dione
CID 43321487
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1-(5-chloro-2-fluorophenyl)octan-1-one
CID 114885192
1-[4-[(4-octanoylphenyl)methyl]phenyl]octan-1-one
CID 139210791
(2,4-dichlorophenyl)-(4-hydroxyphenyl)methanone
CID 13453357
1-(5-chloro-2-hydroxyphenyl)octan-1-one
CID 3917734
(2,4-dichlorophenyl)-(4-propan-2-ylphenyl)methanone
CID 43625036
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492857
1-(3,4-difluorophenyl)heptan-1-one
CID 62622808

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dichlorobenzoyl)phenyl]nonan-1-one?
The IUPAC name of 1-[4-(2,4-dichlorobenzoyl)phenyl]nonan-1-one (CID 158169372) is 1-[4-(2,4-dichlorobenzoyl)phenyl]nonan-1-one.
What is the SMILES notation for 1-[4-(2,4-dichlorobenzoyl)phenyl]nonan-1-one?
The canonical SMILES for 1-[4-(2,4-dichlorobenzoyl)phenyl]nonan-1-one is CCCCCCCCC(=O)c1ccc(C(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-[4-(2,4-dichlorobenzoyl)phenyl]nonan-1-one?
The InChIKey is FOZKVYYDBFKBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2O2/c1-2-3-4-5-6-7-8-21(25)16-9-11-17(12-10-16)22(26)19-14-13-18(23)15-20(19)24/h9-15H,2-8H2,1H3.
What are the key properties of 1-[4-(2,4-dichlorobenzoyl)phenyl]nonan-1-one?
1-[4-(2,4-dichlorobenzoyl)phenyl]nonan-1-one has a molecular weight of 391.34 g/mol, XLogP of 7.16, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dichlorobenzoyl)phenyl]nonan-1-one is sourced from PubChem (CID 158169372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).