2-(4-methoxyphenyl)-2-propoxyacetic acid

C12H16O4 — CID 83223962

IUPAC2-(4-methoxyphenyl)-2-propoxyacetic acid
SMILESCCCOC(C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C12H16O4/c1-3-8-16-11(12(13)14)9-4-6-10(15-2)7-5-9/h4-7,11H,3,8H2,1-2H3,(H,13,14)
InChIKeyZCFMJTZULVXWPJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.25
Rot. Bonds6

About 2-(4-methoxyphenyl)-2-propoxyacetic acid

2-(4-methoxyphenyl)-2-propoxyacetic acid (PubChem CID 83223962) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-propoxyacetic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-propoxyacetic acid
PubChem CID83223962
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-(4-methoxyphenyl)-2-propoxyacetic acid
SMILESCCCOC(C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C12H16O4/c1-3-8-16-11(12(13)14)9-4-6-10(15-2)7-5-9/h4-7,11H,3,8H2,1-2H3,(H,13,14)
InChIKeyZCFMJTZULVXWPJ-UHFFFAOYSA-N
XLogP2.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methylpropyl)phenyl]-2-propoxyacetic acid
CID 83224518
2-(2-hydroxyethoxy)-2-(4-methylphenyl)acetic acid
CID 83224145
2-(4-bromo-3-fluorophenyl)-2-propoxyacetic acid
CID 83224609
propyl (2R)-2-amino-2-(4-methoxyphenyl)acetate
CID 163303603
2-(3-ethoxyphenyl)-2-propoxyacetic acid
CID 83224813
2-(4-methoxyphenoxy)-2-phenylacetic acid
CID 13020555
1-(4-propan-2-yloxyphenyl)-1-propoxybutan-2-one
CID 83225636
tetraethyl (2R,3S)-2,3-bis(4-methoxyphenyl)butane-1,1,4,4-tetracarboxylate
CID 10602909
2-(4-ethoxyphenyl)-2-methoxyacetic acid
CID 83224411
(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
2-ethoxy-2-(4-hydroxyphenyl)acetic acid
CID 70349017
3-fluoro-2-(4-methoxyphenyl)propanoic acid
CID 20555403

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-propoxyacetic acid?
The IUPAC name of 2-(4-methoxyphenyl)-2-propoxyacetic acid (CID 83223962) is 2-(4-methoxyphenyl)-2-propoxyacetic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-propoxyacetic acid?
The canonical SMILES for 2-(4-methoxyphenyl)-2-propoxyacetic acid is CCCOC(C(=O)O)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-propoxyacetic acid?
The InChIKey is ZCFMJTZULVXWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-3-8-16-11(12(13)14)9-4-6-10(15-2)7-5-9/h4-7,11H,3,8H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-methoxyphenyl)-2-propoxyacetic acid?
2-(4-methoxyphenyl)-2-propoxyacetic acid has a molecular weight of 224.26 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-propoxyacetic acid is sourced from PubChem (CID 83223962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).