2-[1-(2-methoxy-4-propan-2-ylphenyl)ethoxy]acetic acid

C14H20O4 — CID 112514676

IUPAC2-[1-(2-methoxy-4-propan-2-ylphenyl)ethoxy]acetic acid
SMILESCOc1cc(C(C)C)ccc1C(C)OCC(=O)O
InChIInChI=1S/C14H20O4/c1-9(2)11-5-6-12(13(7-11)17-4)10(3)18-8-14(15)16/h5-7,9-10H,8H2,1-4H3,(H,15,16)
InChIKeyAOXGHDAOXBIVRM-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.98
Rot. Bonds6

About 2-[1-(2-methoxy-4-propan-2-ylphenyl)ethoxy]acetic acid

2-[1-(2-methoxy-4-propan-2-ylphenyl)ethoxy]acetic acid (PubChem CID 112514676) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[1-(2-methoxy-4-propan-2-ylphenyl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methoxy-4-propan-2-ylphenyl)ethoxy]acetic acid
PubChem CID112514676
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-[1-(2-methoxy-4-propan-2-ylphenyl)ethoxy]acetic acid
SMILESCOc1cc(C(C)C)ccc1C(C)OCC(=O)O
InChIInChI=1S/C14H20O4/c1-9(2)11-5-6-12(13(7-11)17-4)10(3)18-8-14(15)16/h5-7,9-10H,8H2,1-4H3,(H,15,16)
InChIKeyAOXGHDAOXBIVRM-UHFFFAOYSA-N
XLogP2.98
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-4-propan-2-ylphenyl)-3-methylbutanoic acid
CID 82297509
2-[1-(2,5-dimethoxyphenyl)ethoxy]acetic acid
CID 112514494
2-(2-methoxy-4-propan-2-ylphenyl)-4-methylpentanoic acid
CID 112519602
1-(2-methoxy-4-propan-2-ylphenyl)ethanol
CID 83531211
2-(dimethylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid
CID 82481256
methyl 2-(2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)acetate
CID 116857011
2-[2-(carboxymethoxy)-4-propan-2-ylphenoxy]acetic acid
CID 20697686
amino-(2-methoxy-4-propan-2-ylphenyl)methanol
CID 116939637
2-(cyclopropylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid
CID 112513593
2-methoxy-1-(2-methoxy-5-propan-2-ylphenyl)ethanone
CID 82053950
4-amino-4-(2-methoxy-5-propan-2-ylphenyl)butanoic acid
CID 112511871
2-[1-(3-methyl-4-propan-2-yloxyphenyl)ethoxy]acetic acid
CID 112514675

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxy-4-propan-2-ylphenyl)ethoxy]acetic acid?
The IUPAC name of 2-[1-(2-methoxy-4-propan-2-ylphenyl)ethoxy]acetic acid (CID 112514676) is 2-[1-(2-methoxy-4-propan-2-ylphenyl)ethoxy]acetic acid.
What is the SMILES notation for 2-[1-(2-methoxy-4-propan-2-ylphenyl)ethoxy]acetic acid?
The canonical SMILES for 2-[1-(2-methoxy-4-propan-2-ylphenyl)ethoxy]acetic acid is COc1cc(C(C)C)ccc1C(C)OCC(=O)O.
What is the InChIKey of 2-[1-(2-methoxy-4-propan-2-ylphenyl)ethoxy]acetic acid?
The InChIKey is AOXGHDAOXBIVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-9(2)11-5-6-12(13(7-11)17-4)10(3)18-8-14(15)16/h5-7,9-10H,8H2,1-4H3,(H,15,16).
What are the key properties of 2-[1-(2-methoxy-4-propan-2-ylphenyl)ethoxy]acetic acid?
2-[1-(2-methoxy-4-propan-2-ylphenyl)ethoxy]acetic acid has a molecular weight of 252.31 g/mol, XLogP of 2.98, 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-4-propan-2-ylphenyl)ethoxy]acetic acid is sourced from PubChem (CID 112514676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).