2-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-hydroxyacetic acid

C14H20O4 — CID 82481489

IUPAC2-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-hydroxyacetic acid
SMILESCOc1cc(C)c(C(O)C(=O)O)cc1C(C)(C)C
InChIInChI=1S/C14H20O4/c1-8-6-11(18-5)10(14(2,3)4)7-9(8)12(15)13(16)17/h6-7,12,15H,1-5H3,(H,16,17)
InChIKeyURDCLLJYKGEGPN-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.42
Rot. Bonds3

About 2-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-hydroxyacetic acid

2-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-hydroxyacetic acid (PubChem CID 82481489) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-hydroxyacetic acid
PubChem CID82481489
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-hydroxyacetic acid
SMILESCOc1cc(C)c(C(O)C(=O)O)cc1C(C)(C)C
InChIInChI=1S/C14H20O4/c1-8-6-11(18-5)10(14(2,3)4)7-9(8)12(15)13(16)17/h6-7,12,15H,1-5H3,(H,16,17)
InChIKeyURDCLLJYKGEGPN-UHFFFAOYSA-N
XLogP2.42
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid
CID 23558595
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-N-methylethanamine
CID 82496678
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-(methylamino)propan-1-ol
CID 112512918
2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropanoic acid
CID 82232441
2-(5-tert-butyl-4-methoxy-2-methylphenyl)acetamide
CID 82496629
2-hydroxy-2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)acetic acid
CID 117438166
(5-tert-butyl-4-methoxy-2-methylphenyl)-cyclopropylmethanamine
CID 82296043
3-(4-tert-butyl-5-methoxy-2-methylphenyl)-3-cyclopropylpropanoic acid
CID 117469295
2-(5-hydroxy-4-methoxy-2-methylphenyl)-2-methylpropanoic acid
CID 105423410
1-(4-tert-butyl-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 117382208
(E)-3-(5-tert-butyl-4-methoxy-2-methylphenyl)but-2-enoic acid
CID 82302729
2-(3,5-dimethoxy-2-methylphenyl)-2-hydroxyacetic acid
CID 117324991

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-hydroxyacetic acid (CID 82481489) is 2-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-hydroxyacetic acid is COc1cc(C)c(C(O)C(=O)O)cc1C(C)(C)C.
What is the InChIKey of 2-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-hydroxyacetic acid?
The InChIKey is URDCLLJYKGEGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-8-6-11(18-5)10(14(2,3)4)7-9(8)12(15)13(16)17/h6-7,12,15H,1-5H3,(H,16,17).
What are the key properties of 2-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-hydroxyacetic acid?
2-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-hydroxyacetic acid has a molecular weight of 252.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 82481489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).