(4-fluorophenyl)methyl 2-oxo-2-phenylacetate

C15H11FO3 — CID 122376654

IUPAC(4-fluorophenyl)methyl 2-oxo-2-phenylacetate
SMILESO=C(OCc1ccc(F)cc1)C(=O)c1ccccc1
InChIInChI=1S/C15H11FO3/c16-13-8-6-11(7-9-13)10-19-15(18)14(17)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyZLDGAZNZLLFHFU-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.75
Rot. Bonds4

About (4-fluorophenyl)methyl 2-oxo-2-phenylacetate

(4-fluorophenyl)methyl 2-oxo-2-phenylacetate (PubChem CID 122376654) has the molecular formula C15H11FO3 and a molecular weight of 258.25 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 2-oxo-2-phenylacetate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 2-oxo-2-phenylacetate
PubChem CID122376654
Molecular FormulaC15H11FO3
Molecular Weight258.25 g/mol
Exact Mass258.07
IUPAC Name(4-fluorophenyl)methyl 2-oxo-2-phenylacetate
SMILESO=C(OCc1ccc(F)cc1)C(=O)c1ccccc1
InChIInChI=1S/C15H11FO3/c16-13-8-6-11(7-9-13)10-19-15(18)14(17)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyZLDGAZNZLLFHFU-UHFFFAOYSA-N
XLogP2.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2-naphthalen-2-yl-2-oxoacetate
CID 18370584
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433
3-(2-oxo-2-phenylacetyl)oxypropyl 2-oxo-2-phenylacetate
CID 71201170
2-oxo-2-phenylmethoxyethaneperoxoic acid
CID 88728266
(4-fluorophenyl)methyl acetate
CID 14793785
benzyl benzoate
CID 2345
(4-fluorophenyl)methyl N-aminocarbamate
CID 131187793
4-O-benzyl 1-O-[(4-fluorophenyl)methyl] 2-phenylbutanedioate
CID 142746278
(4-benzoylphenyl)methyl 2-methylprop-2-enoate
CID 140797450
benzyl 2-chloro-2-oxoacetate
CID 11019858
(4-fluorophenyl)methyl (2R)-2-aminopropanoate
CID 94254370
benzyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate
CID 101435256

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 2-oxo-2-phenylacetate?
The IUPAC name of (4-fluorophenyl)methyl 2-oxo-2-phenylacetate (CID 122376654) is (4-fluorophenyl)methyl 2-oxo-2-phenylacetate.
What is the SMILES notation for (4-fluorophenyl)methyl 2-oxo-2-phenylacetate?
The canonical SMILES for (4-fluorophenyl)methyl 2-oxo-2-phenylacetate is O=C(OCc1ccc(F)cc1)C(=O)c1ccccc1.
What is the InChIKey of (4-fluorophenyl)methyl 2-oxo-2-phenylacetate?
The InChIKey is ZLDGAZNZLLFHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO3/c16-13-8-6-11(7-9-13)10-19-15(18)14(17)12-4-2-1-3-5-12/h1-9H,10H2.
What are the key properties of (4-fluorophenyl)methyl 2-oxo-2-phenylacetate?
(4-fluorophenyl)methyl 2-oxo-2-phenylacetate has a molecular weight of 258.25 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 2-oxo-2-phenylacetate is sourced from PubChem (CID 122376654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).