2-methyl-2-[4-(3-phenoxypropanoyl)phenoxy]propanoic acid

C19H20O5 — CID 54413560

IUPAC2-methyl-2-[4-(3-phenoxypropanoyl)phenoxy]propanoic acid
SMILESCC(C)(Oc1ccc(C(=O)CCOc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C19H20O5/c1-19(2,18(21)22)24-16-10-8-14(9-11-16)17(20)12-13-23-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,21,22)
InChIKeyVVUUVBOLADDRKR-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.58
Rot. Bonds8

About 2-methyl-2-[4-(3-phenoxypropanoyl)phenoxy]propanoic acid

2-methyl-2-[4-(3-phenoxypropanoyl)phenoxy]propanoic acid (PubChem CID 54413560) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is 2-methyl-2-[4-(3-phenoxypropanoyl)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-(3-phenoxypropanoyl)phenoxy]propanoic acid
PubChem CID54413560
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name2-methyl-2-[4-(3-phenoxypropanoyl)phenoxy]propanoic acid
SMILESCC(C)(Oc1ccc(C(=O)CCOc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C19H20O5/c1-19(2,18(21)22)24-16-10-8-14(9-11-16)17(20)12-13-23-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,21,22)
InChIKeyVVUUVBOLADDRKR-UHFFFAOYSA-N
XLogP3.58
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-3-(4-propanoylphenoxy)propan-1-one
CID 116692107
1-(4-ethylphenyl)-3-phenoxypropan-1-one
CID 62545024
2-[4-(2-chloroethoxy)phenoxy]-2-methylpropanoic acid
CID 22041503
4-[2-[4-(2-carboxypropan-2-yloxy)phenyl]ethoxy]benzoic acid
CID 141111736
2-methyl-2-[4-[3-(4-methylsulfonyloxyphenoxy)propoxy]phenoxy]propanoic acid
CID 11169347
3-methoxy-1-(4-phenoxyphenyl)propan-1-one
CID 82051058
1-(3-methylphenyl)-3-phenoxypropan-1-one
CID 60798241
3-(4-butylphenoxy)-1-phenylpropan-1-one
CID 116692186
1-(4-acetylphenyl)-3-(4-methoxyphenoxy)propan-1-one
CID 163833634
2-methyl-2-(3-pentanoylphenoxy)propanoic acid
CID 71382552
3-(4-propanoylphenoxy)propanoic acid
CID 3050237
N,N-dimethyl-4-(2-phenoxyethoxy)benzamide
CID 28639806

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(3-phenoxypropanoyl)phenoxy]propanoic acid?
The IUPAC name of 2-methyl-2-[4-(3-phenoxypropanoyl)phenoxy]propanoic acid (CID 54413560) is 2-methyl-2-[4-(3-phenoxypropanoyl)phenoxy]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-(3-phenoxypropanoyl)phenoxy]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-(3-phenoxypropanoyl)phenoxy]propanoic acid is CC(C)(Oc1ccc(C(=O)CCOc2ccccc2)cc1)C(=O)O.
What is the InChIKey of 2-methyl-2-[4-(3-phenoxypropanoyl)phenoxy]propanoic acid?
The InChIKey is VVUUVBOLADDRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-19(2,18(21)22)24-16-10-8-14(9-11-16)17(20)12-13-23-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,21,22).
What are the key properties of 2-methyl-2-[4-(3-phenoxypropanoyl)phenoxy]propanoic acid?
2-methyl-2-[4-(3-phenoxypropanoyl)phenoxy]propanoic acid has a molecular weight of 328.36 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(3-phenoxypropanoyl)phenoxy]propanoic acid is sourced from PubChem (CID 54413560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).