2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]acetic acid

C13H18O4 — CID 94769293

IUPAC2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]acetic acid
SMILESCOc1ccc(COCC(=O)O)cc1C(C)C
InChIInChI=1S/C13H18O4/c1-9(2)11-6-10(4-5-12(11)16-3)7-17-8-13(14)15/h4-6,9H,7-8H2,1-3H3,(H,14,15)
InChIKeyBJHBERPPGPENGL-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.42
Rot. Bonds6

About 2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]acetic acid

2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]acetic acid (PubChem CID 94769293) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]acetic acid
PubChem CID94769293
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]acetic acid
SMILESCOc1ccc(COCC(=O)O)cc1C(C)C
InChIInChI=1S/C13H18O4/c1-9(2)11-6-10(4-5-12(11)16-3)7-17-8-13(14)15/h4-6,9H,7-8H2,1-3H3,(H,14,15)
InChIKeyBJHBERPPGPENGL-UHFFFAOYSA-N
XLogP2.42
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-[(3,4-dimethoxyphenyl)methoxy]acetic acid
CID 10727925
(4-methoxy-3-propan-2-ylphenyl)methyl 2-aminopropanoate
CID 112510480
4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid
CID 10060027
2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]ethanamine
CID 94768384
3-amino-3-[2-methoxy-5-(methoxymethyl)phenyl]propanoic acid
CID 117350559
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
methyl 2-[(4-methoxy-3-propan-2-ylphenyl)methylamino]acetate
CID 115232859
2-[2-amino-2-(2,5-dimethoxyphenyl)ethoxy]acetic acid
CID 61327016
N'-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxamide
CID 115191802
4-amino-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutanoic acid
CID 116938153
N-(2-methoxyethyl)-2-(4-methoxy-3-propan-2-ylphenyl)acetamide
CID 110767573
2-(4-methoxy-3-propan-2-ylphenyl)ethanethiol
CID 82126770

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]acetic acid?
The IUPAC name of 2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]acetic acid (CID 94769293) is 2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]acetic acid.
What is the SMILES notation for 2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]acetic acid?
The canonical SMILES for 2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]acetic acid is COc1ccc(COCC(=O)O)cc1C(C)C.
What is the InChIKey of 2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]acetic acid?
The InChIKey is BJHBERPPGPENGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-9(2)11-6-10(4-5-12(11)16-3)7-17-8-13(14)15/h4-6,9H,7-8H2,1-3H3,(H,14,15).
What are the key properties of 2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]acetic acid?
2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]acetic acid has a molecular weight of 238.28 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]acetic acid is sourced from PubChem (CID 94769293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).