2-(2-methoxyphenyl)-2-propan-2-yloxypropanoic acid

C13H18O4 — CID 114990548

IUPAC2-(2-methoxyphenyl)-2-propan-2-yloxypropanoic acid
SMILESCOc1ccccc1C(C)(OC(C)C)C(=O)O
InChIInChI=1S/C13H18O4/c1-9(2)17-13(3,12(14)15)10-7-5-6-8-11(10)16-4/h5-9H,1-4H3,(H,14,15)
InChIKeyRJQCGIHGQUBUFW-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.42
Rot. Bonds5

About 2-(2-methoxyphenyl)-2-propan-2-yloxypropanoic acid

2-(2-methoxyphenyl)-2-propan-2-yloxypropanoic acid (PubChem CID 114990548) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-2-propan-2-yloxypropanoic acid.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-2-propan-2-yloxypropanoic acid
PubChem CID114990548
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2-(2-methoxyphenyl)-2-propan-2-yloxypropanoic acid
SMILESCOc1ccccc1C(C)(OC(C)C)C(=O)O
InChIInChI=1S/C13H18O4/c1-9(2)17-13(3,12(14)15)10-7-5-6-8-11(10)16-4/h5-9H,1-4H3,(H,14,15)
InChIKeyRJQCGIHGQUBUFW-UHFFFAOYSA-N
XLogP2.42
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyphenyl)-2-propan-2-yloxypropanoic acid
CID 84725487
(2-tert-butylphenyl) (2R)-2-(2-methoxyphenyl)propanoate
CID 134922138
2-amino-4-chloro-2-(2-methoxyphenyl)-3-oxopentanoic acid
CID 57052140
(3R)-3-hydroxy-3-(2-methoxyphenyl)butan-2-one
CID 102236965
(2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol
CID 7707238
2-amino-3-hydroxy-2-(2-methoxyphenyl)propanoic acid
CID 22456431
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
2,2-bis(2-methoxyphenyl)propanediamide
CID 118221758
2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65060788
3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol
CID 606344
3-(3-methoxy-2-propan-2-yloxyphenyl)-3-methylbutanoic acid
CID 117419971
methyl 2-(2-methoxyphenyl)-2-(2-methylpropylamino)propanoate
CID 54895241

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-2-propan-2-yloxypropanoic acid?
The IUPAC name of 2-(2-methoxyphenyl)-2-propan-2-yloxypropanoic acid (CID 114990548) is 2-(2-methoxyphenyl)-2-propan-2-yloxypropanoic acid.
What is the SMILES notation for 2-(2-methoxyphenyl)-2-propan-2-yloxypropanoic acid?
The canonical SMILES for 2-(2-methoxyphenyl)-2-propan-2-yloxypropanoic acid is COc1ccccc1C(C)(OC(C)C)C(=O)O.
What is the InChIKey of 2-(2-methoxyphenyl)-2-propan-2-yloxypropanoic acid?
The InChIKey is RJQCGIHGQUBUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-9(2)17-13(3,12(14)15)10-7-5-6-8-11(10)16-4/h5-9H,1-4H3,(H,14,15).
What are the key properties of 2-(2-methoxyphenyl)-2-propan-2-yloxypropanoic acid?
2-(2-methoxyphenyl)-2-propan-2-yloxypropanoic acid has a molecular weight of 238.28 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-2-propan-2-yloxypropanoic acid is sourced from PubChem (CID 114990548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).