2-[(3-acetylphenoxy)methyl]benzoic acid

C16H14O4 — CID 43473132

IUPAC2-[(3-acetylphenoxy)methyl]benzoic acid
SMILESCC(=O)c1cccc(OCc2ccccc2C(=O)O)c1
InChIInChI=1S/C16H14O4/c1-11(17)12-6-4-7-14(9-12)20-10-13-5-2-3-8-15(13)16(18)19/h2-9H,10H2,1H3,(H,18,19)
InChIKeyKIFOCVQZROHCFD-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.17
Rot. Bonds5

About 2-[(3-acetylphenoxy)methyl]benzoic acid

2-[(3-acetylphenoxy)methyl]benzoic acid (PubChem CID 43473132) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-[(3-acetylphenoxy)methyl]benzoic acid.

Molecular Properties

Compound Name2-[(3-acetylphenoxy)methyl]benzoic acid
PubChem CID43473132
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name2-[(3-acetylphenoxy)methyl]benzoic acid
SMILESCC(=O)c1cccc(OCc2ccccc2C(=O)O)c1
InChIInChI=1S/C16H14O4/c1-11(17)12-6-4-7-14(9-12)20-10-13-5-2-3-8-15(13)16(18)19/h2-9H,10H2,1H3,(H,18,19)
InChIKeyKIFOCVQZROHCFD-UHFFFAOYSA-N
XLogP3.17
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;2-(phenoxymethyl)benzoic acid
CID 154809758
ethane;2-[(3-hydroxyphenoxy)methyl]benzoic acid
CID 91444077
1-[3-[(2-methylphenyl)methoxy]phenyl]ethanone
CID 765227
2-[4-[(3-acetylphenoxy)methyl]phenyl]acetic acid
CID 105344808
1-[3-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanone
CID 112549927
2-[(3-bromophenoxy)methyl]benzoic acid;methyl 2-[(3-bromophenoxy)methyl]benzoate
CID 67878013
2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid
CID 43473200
2-acetyl-5-[(2-methoxycarbonylphenyl)methoxy]benzoic acid
CID 91863774
1-(3-acetylphenoxy)-3-phenylpropan-2-one
CID 62030816
2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzoic acid
CID 22687325
1-[3-(4-phenylbutoxy)phenyl]ethanone
CID 114333666
1-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanone
CID 28782365

Frequently Asked Questions

What is the IUPAC name of 2-[(3-acetylphenoxy)methyl]benzoic acid?
The IUPAC name of 2-[(3-acetylphenoxy)methyl]benzoic acid (CID 43473132) is 2-[(3-acetylphenoxy)methyl]benzoic acid.
What is the SMILES notation for 2-[(3-acetylphenoxy)methyl]benzoic acid?
The canonical SMILES for 2-[(3-acetylphenoxy)methyl]benzoic acid is CC(=O)c1cccc(OCc2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[(3-acetylphenoxy)methyl]benzoic acid?
The InChIKey is KIFOCVQZROHCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-11(17)12-6-4-7-14(9-12)20-10-13-5-2-3-8-15(13)16(18)19/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of 2-[(3-acetylphenoxy)methyl]benzoic acid?
2-[(3-acetylphenoxy)methyl]benzoic acid has a molecular weight of 270.28 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-acetylphenoxy)methyl]benzoic acid is sourced from PubChem (CID 43473132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).