2-(4-hydroxyphenoxy)-2-methyl-3-phenylpropanoic acid

C16H16O4 — CID 22261112

IUPAC2-(4-hydroxyphenoxy)-2-methyl-3-phenylpropanoic acid
SMILESCC(Cc1ccccc1)(Oc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C16H16O4/c1-16(15(18)19,11-12-5-3-2-4-6-12)20-14-9-7-13(17)8-10-14/h2-10,17H,11H2,1H3,(H,18,19)
InChIKeyZBZZHFBXLHMCLI-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.86
Rot. Bonds5

About 2-(4-hydroxyphenoxy)-2-methyl-3-phenylpropanoic acid

2-(4-hydroxyphenoxy)-2-methyl-3-phenylpropanoic acid (PubChem CID 22261112) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(4-hydroxyphenoxy)-2-methyl-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(4-hydroxyphenoxy)-2-methyl-3-phenylpropanoic acid
PubChem CID22261112
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name2-(4-hydroxyphenoxy)-2-methyl-3-phenylpropanoic acid
SMILESCC(Cc1ccccc1)(Oc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C16H16O4/c1-16(15(18)19,11-12-5-3-2-4-6-12)20-14-9-7-13(17)8-10-14/h2-10,17H,11H2,1H3,(H,18,19)
InChIKeyZBZZHFBXLHMCLI-UHFFFAOYSA-N
XLogP2.86
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylphenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid
CID 10714560
3-(4-chlorophenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid
CID 10619958
2-methyl-2-(4-propan-2-ylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid
CID 10688529
2-methyl-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropanoic acid
CID 114992406
2-(4-cyclohexylphenoxy)-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 21084282
4-[1-phenyl-2-[4-[tris[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol
CID 139642251
2-(4-hydroxyphenoxy)-2,3-dimethyl-4-phenylbutanoic acid
CID 70484997
2-(4-hydroxyphenoxy)-2-methyl-4-[(2-methylphenyl)methoxy]butanoic acid
CID 70410020
2-(2-methoxyethoxy)-2-methyl-3-phenylpropanoic acid
CID 114990567
4-[(4-bromophenyl)methoxy]-2-(4-hydroxyphenoxy)-2-methylbutanoic acid
CID 70537207
4-[(4-chlorophenyl)methylsulfanyl]-2-(4-hydroxyphenoxy)-2-methylbutanoic acid
CID 70486056
3-(4-bromophenyl)-2-methyl-2-phenylmethoxypropanoic acid
CID 67305553

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenoxy)-2-methyl-3-phenylpropanoic acid?
The IUPAC name of 2-(4-hydroxyphenoxy)-2-methyl-3-phenylpropanoic acid (CID 22261112) is 2-(4-hydroxyphenoxy)-2-methyl-3-phenylpropanoic acid.
What is the SMILES notation for 2-(4-hydroxyphenoxy)-2-methyl-3-phenylpropanoic acid?
The canonical SMILES for 2-(4-hydroxyphenoxy)-2-methyl-3-phenylpropanoic acid is CC(Cc1ccccc1)(Oc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 2-(4-hydroxyphenoxy)-2-methyl-3-phenylpropanoic acid?
The InChIKey is ZBZZHFBXLHMCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-16(15(18)19,11-12-5-3-2-4-6-12)20-14-9-7-13(17)8-10-14/h2-10,17H,11H2,1H3,(H,18,19).
What are the key properties of 2-(4-hydroxyphenoxy)-2-methyl-3-phenylpropanoic acid?
2-(4-hydroxyphenoxy)-2-methyl-3-phenylpropanoic acid has a molecular weight of 272.30 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenoxy)-2-methyl-3-phenylpropanoic acid is sourced from PubChem (CID 22261112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).