2-hydroxy-3-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid

C18H20O8 — CID 126650060

IUPAC2-hydroxy-3-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid
SMILESCC(Oc1ccc(O)cc1)C(=O)O.O=C(O)C(O)COc1ccccc1
InChIInChI=1S/2C9H10O4/c1-6(9(11)12)13-8-4-2-7(10)3-5-8;10-8(9(11)12)6-13-7-4-2-1-3-5-7/h2-6,10H,1H3,(H,11,12);1-5,8,10H,6H2,(H,11,12)
InChIKeyOZIDHLBQDHQVAX-UHFFFAOYSA-N
MW364.35 g/mol
LogP1.75
Rot. Bonds7

About 2-hydroxy-3-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid

2-hydroxy-3-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid (PubChem CID 126650060) has the molecular formula C18H20O8 and a molecular weight of 364.35 g/mol. Its IUPAC name is 2-hydroxy-3-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid
PubChem CID126650060
Molecular FormulaC18H20O8
Molecular Weight364.35 g/mol
Exact Mass364.12
IUPAC Name2-hydroxy-3-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid
SMILESCC(Oc1ccc(O)cc1)C(=O)O.O=C(O)C(O)COc1ccccc1
InChIInChI=1S/2C9H10O4/c1-6(9(11)12)13-8-4-2-7(10)3-5-8;10-8(9(11)12)6-13-7-4-2-1-3-5-7/h2-6,10H,1H3,(H,11,12);1-5,8,10H,6H2,(H,11,12)
InChIKeyOZIDHLBQDHQVAX-UHFFFAOYSA-N
XLogP1.75
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 51.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-3-phenoxypropanoic acid
CID 67592895
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
(2R)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490297
(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490295
sodium;hydride;2-phenoxypropanoic acid
CID 174562261
potassium;hydride;2-phenoxypropanoic acid
CID 174805355
2-hydroxy-2-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid
CID 158122104
phenyl 2-(4-hydroxyphenoxy)propanoate
CID 12919933
(2R)-2-[4-(carboxymethoxy)phenoxy]propanoic acid
CID 139082726
(2S)-2-methyl-3-phenoxypropanoic acid
CID 11367349
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
2-(4-hydroxyphenoxy)-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one
CID 108534685

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid?
The IUPAC name of 2-hydroxy-3-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid (CID 126650060) is 2-hydroxy-3-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid?
The canonical SMILES for 2-hydroxy-3-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid is CC(Oc1ccc(O)cc1)C(=O)O.O=C(O)C(O)COc1ccccc1.
What is the InChIKey of 2-hydroxy-3-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid?
The InChIKey is OZIDHLBQDHQVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10O4/c1-6(9(11)12)13-8-4-2-7(10)3-5-8;10-8(9(11)12)6-13-7-4-2-1-3-5-7/h2-6,10H,1H3,(H,11,12);1-5,8,10H,6H2,(H,11,12).
What are the key properties of 2-hydroxy-3-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid?
2-hydroxy-3-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid has a molecular weight of 364.35 g/mol, XLogP of 1.75, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid is sourced from PubChem (CID 126650060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).