4-hydroxy-2-(3-methoxyphenoxy)-2-methylbutanoic acid

C12H16O5 — CID 68841412

IUPAC4-hydroxy-2-(3-methoxyphenoxy)-2-methylbutanoic acid
SMILESCOc1cccc(OC(C)(CCO)C(=O)O)c1
InChIInChI=1S/C12H16O5/c1-12(6-7-13,11(14)15)17-10-5-3-4-9(8-10)16-2/h3-5,8,13H,6-7H2,1-2H3,(H,14,15)
InChIKeyFNCFNSFIKRUBQX-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.30
Rot. Bonds6

About 4-hydroxy-2-(3-methoxyphenoxy)-2-methylbutanoic acid

4-hydroxy-2-(3-methoxyphenoxy)-2-methylbutanoic acid (PubChem CID 68841412) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is 4-hydroxy-2-(3-methoxyphenoxy)-2-methylbutanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-(3-methoxyphenoxy)-2-methylbutanoic acid
PubChem CID68841412
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name4-hydroxy-2-(3-methoxyphenoxy)-2-methylbutanoic acid
SMILESCOc1cccc(OC(C)(CCO)C(=O)O)c1
InChIInChI=1S/C12H16O5/c1-12(6-7-13,11(14)15)17-10-5-3-4-9(8-10)16-2/h3-5,8,13H,6-7H2,1-2H3,(H,14,15)
InChIKeyFNCFNSFIKRUBQX-UHFFFAOYSA-N
XLogP1.30
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenoxy)-2-methylbutanoic acid
CID 114987502
4-hydroxy-4-(3-methoxyphenoxy)pentanoic acid
CID 68841410
methyl 2-(3-methoxyphenoxy)-2-methylpropanoate
CID 70830796
2-(3-acetylphenoxy)-3-methoxy-2-methylpropanoic acid
CID 67452008
2-(3-methoxyphenyl)-2-methylpropanedioic acid
CID 83536911
2-ethyl-2-(3-methoxyphenyl)propanedioic acid
CID 165450739
2-(3-bromophenoxy)-2,4,4-trimethylpentanoic acid
CID 70024558
2-bromo-2-(3-methoxyphenyl)propanoic acid
CID 19795685
(2R)-3-methoxy-2-(3-methoxyphenyl)-2-methyl-3-oxopropanoic acid
CID 11085823
2-[(3-methoxyphenyl)methyl]-2-methylpentanoic acid
CID 62739211
calcium;1,3-dimethoxybenzene;hydride
CID 174808068
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide
CID 103772274

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(3-methoxyphenoxy)-2-methylbutanoic acid?
The IUPAC name of 4-hydroxy-2-(3-methoxyphenoxy)-2-methylbutanoic acid (CID 68841412) is 4-hydroxy-2-(3-methoxyphenoxy)-2-methylbutanoic acid.
What is the SMILES notation for 4-hydroxy-2-(3-methoxyphenoxy)-2-methylbutanoic acid?
The canonical SMILES for 4-hydroxy-2-(3-methoxyphenoxy)-2-methylbutanoic acid is COc1cccc(OC(C)(CCO)C(=O)O)c1.
What is the InChIKey of 4-hydroxy-2-(3-methoxyphenoxy)-2-methylbutanoic acid?
The InChIKey is FNCFNSFIKRUBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-12(6-7-13,11(14)15)17-10-5-3-4-9(8-10)16-2/h3-5,8,13H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 4-hydroxy-2-(3-methoxyphenoxy)-2-methylbutanoic acid?
4-hydroxy-2-(3-methoxyphenoxy)-2-methylbutanoic acid has a molecular weight of 240.25 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(3-methoxyphenoxy)-2-methylbutanoic acid is sourced from PubChem (CID 68841412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).