2-hydroxy-3-(3-methoxyphenoxy)propanoic acid

C10H12O5 — CID 105465737

IUPAC2-hydroxy-3-(3-methoxyphenoxy)propanoic acid
SMILESCOc1cccc(OCC(O)C(=O)O)c1
InChIInChI=1S/C10H12O5/c1-14-7-3-2-4-8(5-7)15-6-9(11)10(12)13/h2-5,9,11H,6H2,1H3,(H,12,13)
InChIKeyBYTFQVWZKGVVOW-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.52
Rot. Bonds5

About 2-hydroxy-3-(3-methoxyphenoxy)propanoic acid

2-hydroxy-3-(3-methoxyphenoxy)propanoic acid (PubChem CID 105465737) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-hydroxy-3-(3-methoxyphenoxy)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(3-methoxyphenoxy)propanoic acid
PubChem CID105465737
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name2-hydroxy-3-(3-methoxyphenoxy)propanoic acid
SMILESCOc1cccc(OCC(O)C(=O)O)c1
InChIInChI=1S/C10H12O5/c1-14-7-3-2-4-8(5-7)15-6-9(11)10(12)13/h2-5,9,11H,6H2,1H3,(H,12,13)
InChIKeyBYTFQVWZKGVVOW-UHFFFAOYSA-N
XLogP0.52
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-phenoxypropanoic acid
CID 67592895
2-(3-chlorophenyl)-3-(3-methoxyphenoxy)propanoic acid
CID 117243423
3-(3-methoxyphenoxy)-2-(4-methylphenyl)propanoic acid
CID 117245230
3-(3-methoxyphenoxy)-2-(2-methylphenyl)propanoic acid
CID 117244358
1-iodo-3-(3-methoxyphenoxy)propan-2-ol
CID 86028408
methyl 2-[(3-methoxyphenoxy)methyl]-3-methylbutanoate
CID 117242529
2-(3-methoxyphenyl)-3-phenoxypropanoic acid
CID 117243370
1-(3-aminophenoxy)-3-(3-methoxyphenoxy)propan-2-ol
CID 62269535
3-methoxy-1-(3-methoxyphenoxy)-3-methylbutan-2-ol
CID 114228799
1-(3-methoxyphenoxy)-5-methylhexan-2-ol
CID 157099262
3-hydroxy-4-(3-methoxyphenoxy)butanenitrile
CID 13010437
(2R)-2-[[2-(3-methoxyphenoxy)acetyl]amino]propanoic acid
CID 7722413

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(3-methoxyphenoxy)propanoic acid?
The IUPAC name of 2-hydroxy-3-(3-methoxyphenoxy)propanoic acid (CID 105465737) is 2-hydroxy-3-(3-methoxyphenoxy)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(3-methoxyphenoxy)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(3-methoxyphenoxy)propanoic acid is COc1cccc(OCC(O)C(=O)O)c1.
What is the InChIKey of 2-hydroxy-3-(3-methoxyphenoxy)propanoic acid?
The InChIKey is BYTFQVWZKGVVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-14-7-3-2-4-8(5-7)15-6-9(11)10(12)13/h2-5,9,11H,6H2,1H3,(H,12,13).
What are the key properties of 2-hydroxy-3-(3-methoxyphenoxy)propanoic acid?
2-hydroxy-3-(3-methoxyphenoxy)propanoic acid has a molecular weight of 212.20 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(3-methoxyphenoxy)propanoic acid is sourced from PubChem (CID 105465737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).