4-(2-benzoyl-4-chlorophenoxy)butanoic acid

C17H15ClO4 — CID 11522599

IUPAC4-(2-benzoyl-4-chlorophenoxy)butanoic acid
SMILESO=C(O)CCCOc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C17H15ClO4/c18-13-8-9-15(22-10-4-7-16(19)20)14(11-13)17(21)12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,19,20)
InChIKeyZRCANHLKNJATTC-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.81
Rot. Bonds7

About 4-(2-benzoyl-4-chlorophenoxy)butanoic acid

4-(2-benzoyl-4-chlorophenoxy)butanoic acid (PubChem CID 11522599) has the molecular formula C17H15ClO4 and a molecular weight of 318.76 g/mol. Its IUPAC name is 4-(2-benzoyl-4-chlorophenoxy)butanoic acid.

Molecular Properties

Compound Name4-(2-benzoyl-4-chlorophenoxy)butanoic acid
PubChem CID11522599
Molecular FormulaC17H15ClO4
Molecular Weight318.76 g/mol
Exact Mass318.07
IUPAC Name4-(2-benzoyl-4-chlorophenoxy)butanoic acid
SMILESO=C(O)CCCOc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C17H15ClO4/c18-13-8-9-15(22-10-4-7-16(19)20)14(11-13)17(21)12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,19,20)
InChIKeyZRCANHLKNJATTC-UHFFFAOYSA-N
XLogP3.81
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-benzoyl-4-chlorophenoxy)acetamide
CID 54259407
6-(2,4-dichlorophenoxy)-1-phenylhexane-1,3-dione
CID 59520440
N-(2-benzoyl-4-chlorophenyl)-4-phenoxybutanamide
CID 19172248
2-(3-carboxypropoxy)benzoic acid
CID 14661645
4-[(5-chloro-2-propoxybenzoyl)amino]butanoic acid
CID 119170646
2-(2-benzoyl-4-chlorophenoxy)-N-(2-methylphenyl)acetamide;ethane
CID 142824393
4-(2,4-dichlorophenoxy)butanoic acid;2-(2,4,5-trichlorophenoxy)acetic acid
CID 70569666
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 3544695
4-(4-chloronaphthalen-1-yl)oxybutanoic acid
CID 43351513
N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide
CID 17235361
2-[2-(2-bromobenzoyl)-4-chlorophenoxy]acetic acid
CID 11653576
5-chloro-2-(4-methoxybutoxy)benzoic acid
CID 104646799

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzoyl-4-chlorophenoxy)butanoic acid?
The IUPAC name of 4-(2-benzoyl-4-chlorophenoxy)butanoic acid (CID 11522599) is 4-(2-benzoyl-4-chlorophenoxy)butanoic acid.
What is the SMILES notation for 4-(2-benzoyl-4-chlorophenoxy)butanoic acid?
The canonical SMILES for 4-(2-benzoyl-4-chlorophenoxy)butanoic acid is O=C(O)CCCOc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of 4-(2-benzoyl-4-chlorophenoxy)butanoic acid?
The InChIKey is ZRCANHLKNJATTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO4/c18-13-8-9-15(22-10-4-7-16(19)20)14(11-13)17(21)12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,19,20).
What are the key properties of 4-(2-benzoyl-4-chlorophenoxy)butanoic acid?
4-(2-benzoyl-4-chlorophenoxy)butanoic acid has a molecular weight of 318.76 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzoyl-4-chlorophenoxy)butanoic acid is sourced from PubChem (CID 11522599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).