4-oxo-4-(2-phenoxyphenyl)butanoic acid

C16H14O4 — CID 11536339

IUPAC4-oxo-4-(2-phenoxyphenyl)butanoic acid
SMILESO=C(O)CCC(=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C16H14O4/c17-14(10-11-16(18)19)13-8-4-5-9-15(13)20-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,19)
InChIKeyNJMXQZTVWGWNTN-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.53
Rot. Bonds6

About 4-oxo-4-(2-phenoxyphenyl)butanoic acid

4-oxo-4-(2-phenoxyphenyl)butanoic acid (PubChem CID 11536339) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 4-oxo-4-(2-phenoxyphenyl)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-(2-phenoxyphenyl)butanoic acid
PubChem CID11536339
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name4-oxo-4-(2-phenoxyphenyl)butanoic acid
SMILESO=C(O)CCC(=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C16H14O4/c17-14(10-11-16(18)19)13-8-4-5-9-15(13)20-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,19)
InChIKeyNJMXQZTVWGWNTN-UHFFFAOYSA-N
XLogP3.53
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methyl-4-phenoxyphenyl)-4-oxobutanoic acid
CID 82051081
(2-phenoxyphenyl)-phenylmethanone
CID 10802273
phenyl 2-phenoxybenzoate
CID 2471273
4-(2-ethoxy-5-phenoxyphenyl)-4-oxobutanoic acid
CID 82267158
benzoic acid;2-phenoxybenzoic acid
CID 160712085
2-(4-phenoxyphenoxy)benzoate
CID 6946814
4-(2-acetylphenyl)-4-oxobutanoic acid
CID 67451977
2-phenoxybenzoic acid;propan-2-ol
CID 159883753
2-phenoxy-N-phenylbenzamide
CID 3402306
2-[(E)-[(2-phenoxyphenyl)-phenylmethylidene]amino]oxyacetic acid
CID 10783842
[(2S)-1-amino-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 2498474
tert-butyl (2S)-2-acetyl-4-oxo-4-(2-phenoxyphenyl)butanoate
CID 124677421

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(2-phenoxyphenyl)butanoic acid?
The IUPAC name of 4-oxo-4-(2-phenoxyphenyl)butanoic acid (CID 11536339) is 4-oxo-4-(2-phenoxyphenyl)butanoic acid.
What is the SMILES notation for 4-oxo-4-(2-phenoxyphenyl)butanoic acid?
The canonical SMILES for 4-oxo-4-(2-phenoxyphenyl)butanoic acid is O=C(O)CCC(=O)c1ccccc1Oc1ccccc1.
What is the InChIKey of 4-oxo-4-(2-phenoxyphenyl)butanoic acid?
The InChIKey is NJMXQZTVWGWNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c17-14(10-11-16(18)19)13-8-4-5-9-15(13)20-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,19).
What are the key properties of 4-oxo-4-(2-phenoxyphenyl)butanoic acid?
4-oxo-4-(2-phenoxyphenyl)butanoic acid has a molecular weight of 270.28 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(2-phenoxyphenyl)butanoic acid is sourced from PubChem (CID 11536339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).