2-[4-[(3-acetylphenoxy)methyl]phenyl]acetic acid

C17H16O4 — CID 105344808

IUPAC2-[4-[(3-acetylphenoxy)methyl]phenyl]acetic acid
SMILESCC(=O)c1cccc(OCc2ccc(CC(=O)O)cc2)c1
InChIInChI=1S/C17H16O4/c1-12(18)15-3-2-4-16(10-15)21-11-14-7-5-13(6-8-14)9-17(19)20/h2-8,10H,9,11H2,1H3,(H,19,20)
InChIKeyMFSHXZSOCUQYRR-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.10
Rot. Bonds6

About 2-[4-[(3-acetylphenoxy)methyl]phenyl]acetic acid

2-[4-[(3-acetylphenoxy)methyl]phenyl]acetic acid (PubChem CID 105344808) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[4-[(3-acetylphenoxy)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-acetylphenoxy)methyl]phenyl]acetic acid
PubChem CID105344808
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name2-[4-[(3-acetylphenoxy)methyl]phenyl]acetic acid
SMILESCC(=O)c1cccc(OCc2ccc(CC(=O)O)cc2)c1
InChIInChI=1S/C17H16O4/c1-12(18)15-3-2-4-16(10-15)21-11-14-7-5-13(6-8-14)9-17(19)20/h2-8,10H,9,11H2,1H3,(H,19,20)
InChIKeyMFSHXZSOCUQYRR-UHFFFAOYSA-N
XLogP3.10
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-ethoxyphenoxy)methyl]phenyl]acetic acid
CID 105344950
1-[3-[[4-(dimethylamino)phenyl]methoxy]phenyl]ethanone
CID 39205554
2-[4-(phenoxymethyl)phenyl]acetic acid
CID 12832053
ethyl 4-[(3-acetylphenoxy)methyl]benzoate
CID 925874
1-(3-acetylphenoxy)-3-phenylpropan-2-one
CID 62030816
2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
CID 10543442
(3-acetylphenyl) 4-[(3-methylphenoxy)methyl]benzoate
CID 126187584
2-[(3-acetylphenoxy)methyl]benzoic acid
CID 43473132
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
1-[3-[(2-methylphenyl)methoxy]phenyl]ethanone
CID 765227
2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid
CID 20984477
3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide
CID 167758770

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-acetylphenoxy)methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(3-acetylphenoxy)methyl]phenyl]acetic acid (CID 105344808) is 2-[4-[(3-acetylphenoxy)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(3-acetylphenoxy)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(3-acetylphenoxy)methyl]phenyl]acetic acid is CC(=O)c1cccc(OCc2ccc(CC(=O)O)cc2)c1.
What is the InChIKey of 2-[4-[(3-acetylphenoxy)methyl]phenyl]acetic acid?
The InChIKey is MFSHXZSOCUQYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-12(18)15-3-2-4-16(10-15)21-11-14-7-5-13(6-8-14)9-17(19)20/h2-8,10H,9,11H2,1H3,(H,19,20).
What are the key properties of 2-[4-[(3-acetylphenoxy)methyl]phenyl]acetic acid?
2-[4-[(3-acetylphenoxy)methyl]phenyl]acetic acid has a molecular weight of 284.31 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-acetylphenoxy)methyl]phenyl]acetic acid is sourced from PubChem (CID 105344808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).