2-hydroxy-3-phenoxypropanoic acid

C18H20O8 — CID 67592895

IUPAC2-hydroxy-3-phenoxypropanoic acid
SMILESO=C(O)C(O)COc1ccccc1.O=C(O)C(O)COc1ccccc1
InChIInChI=1S/2C9H10O4/c2*10-8(9(11)12)6-13-7-4-2-1-3-5-7/h2*1-5,8,10H,6H2,(H,11,12)
InChIKeyRKKDVFDPGRVEDD-UHFFFAOYSA-N
MW364.35 g/mol
LogP1.02
Rot. Bonds8

About 2-hydroxy-3-phenoxypropanoic acid

2-hydroxy-3-phenoxypropanoic acid (PubChem CID 67592895) has the molecular formula C18H20O8 and a molecular weight of 364.35 g/mol. Its IUPAC name is 2-hydroxy-3-phenoxypropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-phenoxypropanoic acid
PubChem CID67592895
Molecular FormulaC18H20O8
Molecular Weight364.35 g/mol
Exact Mass364.12
IUPAC Name2-hydroxy-3-phenoxypropanoic acid
SMILESO=C(O)C(O)COc1ccccc1.O=C(O)C(O)COc1ccccc1
InChIInChI=1S/2C9H10O4/c2*10-8(9(11)12)6-13-7-4-2-1-3-5-7/h2*1-5,8,10H,6H2,(H,11,12)
InChIKeyRKKDVFDPGRVEDD-UHFFFAOYSA-N
XLogP1.02
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-aminophenoxy)-2-hydroxypropanoic acid
CID 166746246
2-hydroxy-3-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid
CID 126650060
2-hydroxy-3-(3-methoxyphenoxy)propanoic acid
CID 105465737
(2S)-2-methyl-3-phenoxypropanoic acid
CID 11367349
2-hydroxy-3-[4-(2-methoxyethoxy)phenoxy]propanoic acid
CID 102149815
acetic acid;1-phenoxypropan-2-ol
CID 68567525
(2R)-2-hydroxy-3-(4-nitrophenoxy)propanoic acid
CID 166746299
2-(phenoxymethyl)propane-1,1,3,3-tetrol
CID 173269975
3-phenoxypropane-1,2-diol
CID 10857
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
3-phenoxypropane-1,2-diol
CID 158587241
ethane;1-phenoxypropan-2-ol
CID 90926921

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-phenoxypropanoic acid?
The IUPAC name of 2-hydroxy-3-phenoxypropanoic acid (CID 67592895) is 2-hydroxy-3-phenoxypropanoic acid.
What is the SMILES notation for 2-hydroxy-3-phenoxypropanoic acid?
The canonical SMILES for 2-hydroxy-3-phenoxypropanoic acid is O=C(O)C(O)COc1ccccc1.O=C(O)C(O)COc1ccccc1.
What is the InChIKey of 2-hydroxy-3-phenoxypropanoic acid?
The InChIKey is RKKDVFDPGRVEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10O4/c2*10-8(9(11)12)6-13-7-4-2-1-3-5-7/h2*1-5,8,10H,6H2,(H,11,12).
What are the key properties of 2-hydroxy-3-phenoxypropanoic acid?
2-hydroxy-3-phenoxypropanoic acid has a molecular weight of 364.35 g/mol, XLogP of 1.02, 8 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 is sourced from PubChem (CID 67592895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).