3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid

C11H14O4 — CID 82366721

IUPAC3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid
SMILESCOc1ccc(C)cc1C(O)CC(=O)O
InChIInChI=1S/C11H14O4/c1-7-3-4-10(15-2)8(5-7)9(12)6-11(13)14/h3-5,9,12H,6H2,1-2H3,(H,13,14)
InChIKeyRWUCFGTXNBIODC-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.51
Rot. Bonds4

About 3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid

3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid (PubChem CID 82366721) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid
PubChem CID82366721
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid
SMILESCOc1ccc(C)cc1C(O)CC(=O)O
InChIInChI=1S/C11H14O4/c1-7-3-4-10(15-2)8(5-7)9(12)6-11(13)14/h3-5,9,12H,6H2,1-2H3,(H,13,14)
InChIKeyRWUCFGTXNBIODC-UHFFFAOYSA-N
XLogP1.51
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 82366778
3-(2-methoxy-5-methylphenyl)hexanoic acid
CID 112501926
methyl 4-hydroxy-4-(2-methoxy-5-methylphenyl)butanoate
CID 82347001
4-hydroxy-4-(2-methoxy-5-methylphenyl)-N-propan-2-ylbutanamide
CID 112510957
1-(2-methoxy-5-methylphenyl)pentan-1-ol
CID 61080930
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
3-amino-3-(2-methoxy-5-methylphenyl)propanehydrazide
CID 116848730
3-hydroxy-4-(2-methoxy-5-methylphenyl)butanoic acid
CID 82080605
3-amino-4-[1-(2-methoxy-5-methylphenyl)ethylamino]-4-oxobutanoic acid
CID 64896852
ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate
CID 10775496
3-amino-1-(2-methoxy-5-methylphenyl)butan-1-ol
CID 81462431
4-amino-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentanoic acid
CID 82348234

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid?
The IUPAC name of 3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid (CID 82366721) is 3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid.
What is the SMILES notation for 3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid?
The canonical SMILES for 3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid is COc1ccc(C)cc1C(O)CC(=O)O.
What is the InChIKey of 3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid?
The InChIKey is RWUCFGTXNBIODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-7-3-4-10(15-2)8(5-7)9(12)6-11(13)14/h3-5,9,12H,6H2,1-2H3,(H,13,14).
What are the key properties of 3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid?
3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid has a molecular weight of 210.23 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid is sourced from PubChem (CID 82366721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).