2-[1-(2-methoxy-3,5-dimethylphenyl)-2-methylpropoxy]acetic acid

C15H22O4 — CID 112514986

IUPAC2-[1-(2-methoxy-3,5-dimethylphenyl)-2-methylpropoxy]acetic acid
SMILESCOc1c(C)cc(C)cc1C(OCC(=O)O)C(C)C
InChIInChI=1S/C15H22O4/c1-9(2)14(19-8-13(16)17)12-7-10(3)6-11(4)15(12)18-5/h6-7,9,14H,8H2,1-5H3,(H,16,17)
InChIKeyTXOANXFPVGXMIQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.11
Rot. Bonds6

About 2-[1-(2-methoxy-3,5-dimethylphenyl)-2-methylpropoxy]acetic acid

2-[1-(2-methoxy-3,5-dimethylphenyl)-2-methylpropoxy]acetic acid (PubChem CID 112514986) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[1-(2-methoxy-3,5-dimethylphenyl)-2-methylpropoxy]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methoxy-3,5-dimethylphenyl)-2-methylpropoxy]acetic acid
PubChem CID112514986
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name2-[1-(2-methoxy-3,5-dimethylphenyl)-2-methylpropoxy]acetic acid
SMILESCOc1c(C)cc(C)cc1C(OCC(=O)O)C(C)C
InChIInChI=1S/C15H22O4/c1-9(2)14(19-8-13(16)17)12-7-10(3)6-11(4)15(12)18-5/h6-7,9,14H,8H2,1-5H3,(H,16,17)
InChIKeyTXOANXFPVGXMIQ-UHFFFAOYSA-N
XLogP3.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-4-(2-methoxy-3,5-dimethylphenyl)-3-methylbutanoic acid
CID 116938182
2-(2-methoxy-3,5-dimethylphenoxy)acetic acid
CID 84677573
3-amino-3-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid
CID 116938050
2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene
CID 149196721
3-[[2-hydroxy-2-(2-methoxy-3,5-dimethylphenyl)ethyl]-methylamino]propanoic acid
CID 82216917
ethyl 2-chloro-2-(2-methoxy-3,5-dimethylphenyl)acetate
CID 116863130
2-[[1-hydroxy-1-(2-methoxy-3,5-dimethylphenyl)butan-2-yl]amino]acetic acid
CID 82315630
(4-methoxy-3,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 83043829
methyl 3-(2-methoxy-3,5-dimethylphenyl)-3-(methylamino)propanoate
CID 116955429
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
methyl 4-amino-4-(2-methoxy-3,5-dimethylphenyl)butanoate
CID 116940201
(E)-4-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)but-2-enoic acid
CID 116956327

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxy-3,5-dimethylphenyl)-2-methylpropoxy]acetic acid?
The IUPAC name of 2-[1-(2-methoxy-3,5-dimethylphenyl)-2-methylpropoxy]acetic acid (CID 112514986) is 2-[1-(2-methoxy-3,5-dimethylphenyl)-2-methylpropoxy]acetic acid.
What is the SMILES notation for 2-[1-(2-methoxy-3,5-dimethylphenyl)-2-methylpropoxy]acetic acid?
The canonical SMILES for 2-[1-(2-methoxy-3,5-dimethylphenyl)-2-methylpropoxy]acetic acid is COc1c(C)cc(C)cc1C(OCC(=O)O)C(C)C.
What is the InChIKey of 2-[1-(2-methoxy-3,5-dimethylphenyl)-2-methylpropoxy]acetic acid?
The InChIKey is TXOANXFPVGXMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-9(2)14(19-8-13(16)17)12-7-10(3)6-11(4)15(12)18-5/h6-7,9,14H,8H2,1-5H3,(H,16,17).
What are the key properties of 2-[1-(2-methoxy-3,5-dimethylphenyl)-2-methylpropoxy]acetic acid?
2-[1-(2-methoxy-3,5-dimethylphenyl)-2-methylpropoxy]acetic acid has a molecular weight of 266.34 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxy-3,5-dimethylphenyl)-2-methylpropoxy]acetic acid is sourced from PubChem (CID 112514986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).