2,3-dihydroxy-3-[4-(methoxymethyl)phenyl]propanoic acid

C11H14O5 — CID 170823892

IUPAC2,3-dihydroxy-3-[4-(methoxymethyl)phenyl]propanoic acid
SMILESCOCc1ccc(C(O)C(O)C(=O)O)cc1
InChIInChI=1S/C11H14O5/c1-16-6-7-2-4-8(5-3-7)9(12)10(13)11(14)15/h2-5,9-10,12-13H,6H2,1H3,(H,14,15)
InChIKeyXRQRRTNKZRPRPN-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.31
Rot. Bonds5

About 2,3-dihydroxy-3-[4-(methoxymethyl)phenyl]propanoic acid

2,3-dihydroxy-3-[4-(methoxymethyl)phenyl]propanoic acid (PubChem CID 170823892) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2,3-dihydroxy-3-[4-(methoxymethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-3-[4-(methoxymethyl)phenyl]propanoic acid
PubChem CID170823892
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name2,3-dihydroxy-3-[4-(methoxymethyl)phenyl]propanoic acid
SMILESCOCc1ccc(C(O)C(O)C(=O)O)cc1
InChIInChI=1S/C11H14O5/c1-16-6-7-2-4-8(5-3-7)9(12)10(13)11(14)15/h2-5,9-10,12-13H,6H2,1H3,(H,14,15)
InChIKeyXRQRRTNKZRPRPN-UHFFFAOYSA-N
XLogP0.31
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-4-[4-(methoxymethyl)phenyl]-2,3-dimethylbutanoic acid
CID 79414012
2,3-dihydroxy-3-[4-(2-hydroxyethyl)phenyl]propanoic acid
CID 170823909
2,3-dihydroxy-3-[4-(methoxymethyl)phenyl]propanenitrile
CID 171870155
3-[4-[(tert-butylamino)methyl]phenyl]-2,3-dihydroxypropanoic acid
CID 170824867
S-[3,4-dihydroxy-4-[4-(methoxymethyl)phenyl]butyl] ethanethioate
CID 171875809
2-(3,5-difluorophenyl)-1-[4-(methoxymethyl)phenyl]ethanol
CID 105402605
2,3-dihydroxy-3-[4-(2-methylpropoxy)phenyl]propanoic acid
CID 170825217
4-amino-4-[4-(methoxymethyl)phenyl]butanoic acid
CID 117319626
4-amino-3-[4-(methoxymethyl)phenyl]butanoic acid
CID 66098947
2,3-dihydroxy-3-(4-sulfamoylphenyl)propanoic acid
CID 170824387
3-hydroxy-2-[[4-(methoxymethyl)benzoyl]amino]butanoic acid
CID 43238754
2-[4-(methoxymethyl)phenyl]propanehydrazide
CID 105351367

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-[4-(methoxymethyl)phenyl]propanoic acid?
The IUPAC name of 2,3-dihydroxy-3-[4-(methoxymethyl)phenyl]propanoic acid (CID 170823892) is 2,3-dihydroxy-3-[4-(methoxymethyl)phenyl]propanoic acid.
What is the SMILES notation for 2,3-dihydroxy-3-[4-(methoxymethyl)phenyl]propanoic acid?
The canonical SMILES for 2,3-dihydroxy-3-[4-(methoxymethyl)phenyl]propanoic acid is COCc1ccc(C(O)C(O)C(=O)O)cc1.
What is the InChIKey of 2,3-dihydroxy-3-[4-(methoxymethyl)phenyl]propanoic acid?
The InChIKey is XRQRRTNKZRPRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-16-6-7-2-4-8(5-3-7)9(12)10(13)11(14)15/h2-5,9-10,12-13H,6H2,1H3,(H,14,15).
What are the key properties of 2,3-dihydroxy-3-[4-(methoxymethyl)phenyl]propanoic acid?
2,3-dihydroxy-3-[4-(methoxymethyl)phenyl]propanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-[4-(methoxymethyl)phenyl]propanoic acid is sourced from PubChem (CID 170823892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).