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

C18H18O5 — CID 91863926

IUPAC2-[2-[(4-acetyl-3-methoxyphenoxy)methyl]phenyl]acetic acid
SMILESCOc1cc(OCc2ccccc2CC(=O)O)ccc1C(C)=O
InChIInChI=1S/C18H18O5/c1-12(19)16-8-7-15(10-17(16)22-2)23-11-14-6-4-3-5-13(14)9-18(20)21/h3-8,10H,9,11H2,1-2H3,(H,20,21)
InChIKeyARURXVCQABMUDW-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.10
Rot. Bonds7

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

2-[2-[(4-acetyl-3-methoxyphenoxy)methyl]phenyl]acetic acid (PubChem CID 91863926) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-[2-[(4-acetyl-3-methoxyphenoxy)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-acetyl-3-methoxyphenoxy)methyl]phenyl]acetic acid
PubChem CID91863926
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name2-[2-[(4-acetyl-3-methoxyphenoxy)methyl]phenyl]acetic acid
SMILESCOc1cc(OCc2ccccc2CC(=O)O)ccc1C(C)=O
InChIInChI=1S/C18H18O5/c1-12(19)16-8-7-15(10-17(16)22-2)23-11-14-6-4-3-5-13(14)9-18(20)21/h3-8,10H,9,11H2,1-2H3,(H,20,21)
InChIKeyARURXVCQABMUDW-UHFFFAOYSA-N
XLogP3.10
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(4-acetyl-3-methoxyphenoxy)methyl]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91863953
3-[(4-acetyl-3-methoxyphenoxy)methyl]benzoic acid
CID 91863937
1-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]ethanone
CID 91863947
1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 11280801
1-[4-[(2-ethylphenyl)methoxy]-2-fluorophenyl]ethanone
CID 91863374
2-acetyl-5-[(2-methoxycarbonylphenyl)methoxy]benzoic acid
CID 91863774
1-[2-[[2-[(2-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 13256788
2-[2-[(3,4-difluorophenoxy)methyl]phenyl]acetic acid
CID 115460701
1-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanone
CID 91863363
1-[2-chloro-4-[(2-iodophenyl)methoxy]phenyl]ethanone
CID 91863438
2-[2-[(5-amino-2-methoxyphenoxy)methyl]phenyl]acetic acid
CID 115460494
(2-acetyl-5-phenylmethoxyphenyl) benzoate
CID 4189871

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-acetyl-3-methoxyphenoxy)methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[(4-acetyl-3-methoxyphenoxy)methyl]phenyl]acetic acid (CID 91863926) is 2-[2-[(4-acetyl-3-methoxyphenoxy)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(4-acetyl-3-methoxyphenoxy)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(4-acetyl-3-methoxyphenoxy)methyl]phenyl]acetic acid is COc1cc(OCc2ccccc2CC(=O)O)ccc1C(C)=O.
What is the InChIKey of 2-[2-[(4-acetyl-3-methoxyphenoxy)methyl]phenyl]acetic acid?
The InChIKey is ARURXVCQABMUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5/c1-12(19)16-8-7-15(10-17(16)22-2)23-11-14-6-4-3-5-13(14)9-18(20)21/h3-8,10H,9,11H2,1-2H3,(H,20,21).
What are the key properties of 2-[2-[(4-acetyl-3-methoxyphenoxy)methyl]phenyl]acetic acid?
2-[2-[(4-acetyl-3-methoxyphenoxy)methyl]phenyl]acetic acid has a molecular weight of 314.34 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-acetyl-3-methoxyphenoxy)methyl]phenyl]acetic acid is sourced from PubChem (CID 91863926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).