2-[4-(2-hydroxyphenyl)phenoxy]acetic acid

C14H12O4 — CID 10776663

IUPAC2-[4-(2-hydroxyphenyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2ccccc2O)cc1
InChIInChI=1S/C14H12O4/c15-13-4-2-1-3-12(13)10-5-7-11(8-6-10)18-9-14(16)17/h1-8,15H,9H2,(H,16,17)
InChIKeyPKMGGGQMUWYFOS-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.52
Rot. Bonds4

About 2-[4-(2-hydroxyphenyl)phenoxy]acetic acid

2-[4-(2-hydroxyphenyl)phenoxy]acetic acid (PubChem CID 10776663) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[4-(2-hydroxyphenyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(2-hydroxyphenyl)phenoxy]acetic acid
PubChem CID10776663
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name2-[4-(2-hydroxyphenyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2ccccc2O)cc1
InChIInChI=1S/C14H12O4/c15-13-4-2-1-3-12(13)10-5-7-11(8-6-10)18-9-14(16)17/h1-8,15H,9H2,(H,16,17)
InChIKeyPKMGGGQMUWYFOS-UHFFFAOYSA-N
XLogP2.52
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane-1,2-diol;2-phenoxyacetic acid
CID 86738206
2-[4-[2-[(dimethylamino)methyl]phenyl]phenoxy]acetic acid
CID 82039436
2-phenoxyacetic acid;titanium
CID 174896747
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
2-[4-(N-[4-[4-(N-[4-(carboxymethoxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]acetic acid
CID 102587627
chloromethane;2-phenoxyacetic acid
CID 157255542
naphthalene;2-phenoxyacetic acid
CID 175275275
2-[4-(2,5-difluorophenyl)phenoxy]acetic acid
CID 82039119
oxalic acid;2-phenylphenol
CID 162319962
2-[4-(3-phenylpropyl)phenoxy]acetic acid
CID 101304204
phenoxymethylbenzene;2-phenylphenol
CID 159234068
2-[4-(1H-pyrazol-5-yl)phenoxy]acetic acid
CID 102534246

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyphenyl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(2-hydroxyphenyl)phenoxy]acetic acid (CID 10776663) is 2-[4-(2-hydroxyphenyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(2-hydroxyphenyl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(2-hydroxyphenyl)phenoxy]acetic acid is O=C(O)COc1ccc(-c2ccccc2O)cc1.
What is the InChIKey of 2-[4-(2-hydroxyphenyl)phenoxy]acetic acid?
The InChIKey is PKMGGGQMUWYFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c15-13-4-2-1-3-12(13)10-5-7-11(8-6-10)18-9-14(16)17/h1-8,15H,9H2,(H,16,17).
What are the key properties of 2-[4-(2-hydroxyphenyl)phenoxy]acetic acid?
2-[4-(2-hydroxyphenyl)phenoxy]acetic acid has a molecular weight of 244.25 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyphenyl)phenoxy]acetic acid is sourced from PubChem (CID 10776663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).