2-(4-hydroxyphenyl)-2-methoxyacetic acid

C9H10O4 — CID 18958975

IUPAC2-(4-hydroxyphenyl)-2-methoxyacetic acid
SMILESCOC(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C9H10O4/c1-13-8(9(11)12)6-2-4-7(10)5-3-6/h2-5,8,10H,1H3,(H,11,12)
InChIKeyUHWCKIPLXDQZMD-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.16
Rot. Bonds3

About 2-(4-hydroxyphenyl)-2-methoxyacetic acid

2-(4-hydroxyphenyl)-2-methoxyacetic acid (PubChem CID 18958975) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-2-methoxyacetic acid.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-2-methoxyacetic acid
PubChem CID18958975
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name2-(4-hydroxyphenyl)-2-methoxyacetic acid
SMILESCOC(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C9H10O4/c1-13-8(9(11)12)6-2-4-7(10)5-3-6/h2-5,8,10H,1H3,(H,11,12)
InChIKeyUHWCKIPLXDQZMD-UHFFFAOYSA-N
XLogP1.16
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-2-methoxyacetic acid?
The IUPAC name of 2-(4-hydroxyphenyl)-2-methoxyacetic acid (CID 18958975) is 2-(4-hydroxyphenyl)-2-methoxyacetic acid.
What is the SMILES notation for 2-(4-hydroxyphenyl)-2-methoxyacetic acid?
The canonical SMILES for 2-(4-hydroxyphenyl)-2-methoxyacetic acid is COC(C(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-2-methoxyacetic acid?
The InChIKey is UHWCKIPLXDQZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-13-8(9(11)12)6-2-4-7(10)5-3-6/h2-5,8,10H,1H3,(H,11,12).
What are the key properties of 2-(4-hydroxyphenyl)-2-methoxyacetic acid?
2-(4-hydroxyphenyl)-2-methoxyacetic acid has a molecular weight of 182.17 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-2-methoxyacetic acid is sourced from PubChem (CID 18958975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).