3-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-methylpropanoic acid

C14H20O4 — CID 117384048

IUPAC3-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-methylpropanoic acid
SMILESCOc1cc(C(C)C)cc(CC(C)C(=O)O)c1O
InChIInChI=1S/C14H20O4/c1-8(2)10-6-11(5-9(3)14(16)17)13(15)12(7-10)18-4/h6-9,15H,5H2,1-4H3,(H,16,17)
InChIKeyXQPWARBPUAQWOM-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.79
Rot. Bonds5

About 3-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-methylpropanoic acid

3-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-methylpropanoic acid (PubChem CID 117384048) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-methylpropanoic acid
PubChem CID117384048
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name3-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-methylpropanoic acid
SMILESCOc1cc(C(C)C)cc(CC(C)C(=O)O)c1O
InChIInChI=1S/C14H20O4/c1-8(2)10-6-11(5-9(3)14(16)17)13(15)12(7-10)18-4/h6-9,15H,5H2,1-4H3,(H,16,17)
InChIKeyXQPWARBPUAQWOM-UHFFFAOYSA-N
XLogP2.79
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-3-methoxy-5-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117430043
3-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid
CID 83899882
2-(2-hydroxypropyl)-6-methoxy-4-propan-2-ylphenol
CID 117322314
3-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropanoic acid
CID 117384067
2-(aminooxymethyl)-6-methoxy-4-propan-2-ylphenol
CID 117301823
3-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-methylpropanoic acid
CID 84814594
3-(5-bromo-2,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 117487959
3-(3-bromo-2-hydroxy-5-methylphenyl)-2-methylpropanoic acid
CID 83903983
3-(2-hydroxy-5-methoxy-4-methylphenyl)-2-methylpropanoic acid
CID 117321917
3-(4-hydroxy-5-methoxy-2-methylphenyl)-2-methylpropanoic acid
CID 105423407
3-(2-methoxy-4-methylphenyl)-2-methylpropanoic acid
CID 82611587
1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone
CID 117347105

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-methylpropanoic acid (CID 117384048) is 3-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-methylpropanoic acid is COc1cc(C(C)C)cc(CC(C)C(=O)O)c1O.
What is the InChIKey of 3-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-methylpropanoic acid?
The InChIKey is XQPWARBPUAQWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-8(2)10-6-11(5-9(3)14(16)17)13(15)12(7-10)18-4/h6-9,15H,5H2,1-4H3,(H,16,17).
What are the key properties of 3-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-methylpropanoic acid?
3-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-methylpropanoic acid has a molecular weight of 252.31 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 117384048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).