2-hydroxy-2-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid

C18H20O8 — CID 158122104

IUPAC2-hydroxy-2-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid
SMILESCC(O)(Oc1ccccc1)C(=O)O.CC(Oc1ccc(O)cc1)C(=O)O
InChIInChI=1S/2C9H10O4/c1-6(9(11)12)13-8-4-2-7(10)3-5-8;1-9(12,8(10)11)13-7-5-3-2-4-6-7/h2-6,10H,1H3,(H,11,12);2-6,12H,1H3,(H,10,11)
InChIKeyFRSOWCIVOKKNJC-UHFFFAOYSA-N
MW364.35 g/mol
LogP2.10
Rot. Bonds6

About 2-hydroxy-2-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid

2-hydroxy-2-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid (PubChem CID 158122104) has the molecular formula C18H20O8 and a molecular weight of 364.35 g/mol. Its IUPAC name is 2-hydroxy-2-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid
PubChem CID158122104
Molecular FormulaC18H20O8
Molecular Weight364.35 g/mol
Exact Mass364.12
IUPAC Name2-hydroxy-2-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid
SMILESCC(O)(Oc1ccccc1)C(=O)O.CC(Oc1ccc(O)cc1)C(=O)O
InChIInChI=1S/2C9H10O4/c1-6(9(11)12)13-8-4-2-7(10)3-5-8;1-9(12,8(10)11)13-7-5-3-2-4-6-7/h2-6,10H,1H3,(H,11,12);2-6,12H,1H3,(H,10,11)
InChIKeyFRSOWCIVOKKNJC-UHFFFAOYSA-N
XLogP2.10
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-phenoxypropanoic acid;hydrofluoride
CID 161153787
2-hydroxy-3-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid
CID 126650060
sodium;hydride;2-phenoxypropanoic acid
CID 174562261
potassium;hydride;2-phenoxypropanoic acid
CID 174805355
phenyl 2-(4-hydroxyphenoxy)propanoate
CID 12919933
2-[4-[2-[4-(1-carboxyethoxy)phenyl]propan-2-yl]phenoxy]propanoic acid
CID 110193293
(2R)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490297
(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490295
2-(4-anilinophenoxy)propanoic acid
CID 43519559
2-(4-chlorophenoxy)propanoic acid;2,2-dichloropropanoic acid
CID 67571013
(2R)-2-(4-hydroxyphenoxy)propanamide
CID 67641252
2-(4-fluorophenoxy)propanoic acid
CID 3872140

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid?
The IUPAC name of 2-hydroxy-2-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid (CID 158122104) is 2-hydroxy-2-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid?
The canonical SMILES for 2-hydroxy-2-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid is CC(O)(Oc1ccccc1)C(=O)O.CC(Oc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 2-hydroxy-2-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid?
The InChIKey is FRSOWCIVOKKNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10O4/c1-6(9(11)12)13-8-4-2-7(10)3-5-8;1-9(12,8(10)11)13-7-5-3-2-4-6-7/h2-6,10H,1H3,(H,11,12);2-6,12H,1H3,(H,10,11).
What are the key properties of 2-hydroxy-2-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid?
2-hydroxy-2-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid has a molecular weight of 364.35 g/mol, XLogP of 2.10, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid is sourced from PubChem (CID 158122104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).