4-(4-acetylphenoxy)benzoic acid

C15H12O4 — CID 60723234

IUPAC4-(4-acetylphenoxy)benzoic acid
SMILESCC(=O)c1ccc(Oc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C15H12O4/c1-10(16)11-2-6-13(7-3-11)19-14-8-4-12(5-9-14)15(17)18/h2-9H,1H3,(H,17,18)
InChIKeyLHEPPRQWRSYLTB-UHFFFAOYSA-N
MW256.26 g/mol
LogP3.38
Rot. Bonds4

About 4-(4-acetylphenoxy)benzoic acid

4-(4-acetylphenoxy)benzoic acid (PubChem CID 60723234) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)benzoic acid.

Molecular Properties

Compound Name4-(4-acetylphenoxy)benzoic acid
PubChem CID60723234
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name4-(4-acetylphenoxy)benzoic acid
SMILESCC(=O)c1ccc(Oc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C15H12O4/c1-10(16)11-2-6-13(7-3-11)19-14-8-4-12(5-9-14)15(17)18/h2-9H,1H3,(H,17,18)
InChIKeyLHEPPRQWRSYLTB-UHFFFAOYSA-N
XLogP3.38
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974
4-acetyl(11C)benzoic acid
CID 11205952
[4-(4-acetylphenoxy)phenyl] acetate
CID 86194882
4-phenoxybenzoic acid;hydrochloride
CID 70385625
1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]phenyl]phenoxy]phenyl]ethanone
CID 126710300
4-[[4-[[4-(4-acetylphenoxy)phenyl]methyl]-1,4-diazepan-1-yl]methyl]benzoic acid
CID 23642226
1-[4-[4-(2-sulfanylpropan-2-yl)phenoxy]phenyl]ethanone
CID 143560267
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanone
CID 28524219
4-acetylbenzoic acid;1-(4-acetylphenyl)ethanone;sulfuric acid
CID 167614244
4-[4-[4-(4-carboxyphenoxy)phenyl]sulfanylphenoxy]benzoic acid
CID 14177975
acetic acid;cobalt;manganese;terephthalic acid
CID 174955175
acetic acid;terephthalic acid
CID 158530154

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)benzoic acid?
The IUPAC name of 4-(4-acetylphenoxy)benzoic acid (CID 60723234) is 4-(4-acetylphenoxy)benzoic acid.
What is the SMILES notation for 4-(4-acetylphenoxy)benzoic acid?
The canonical SMILES for 4-(4-acetylphenoxy)benzoic acid is CC(=O)c1ccc(Oc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)benzoic acid?
The InChIKey is LHEPPRQWRSYLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c1-10(16)11-2-6-13(7-3-11)19-14-8-4-12(5-9-14)15(17)18/h2-9H,1H3,(H,17,18).
What are the key properties of 4-(4-acetylphenoxy)benzoic acid?
4-(4-acetylphenoxy)benzoic acid has a molecular weight of 256.26 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)benzoic acid is sourced from PubChem (CID 60723234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).