3-(3-hydroxy-4-methoxyphenyl)propanoic acid;2-hydroxy-2-methylpropanoic acid

C14H20O7 — CID 160639510

IUPAC3-(3-hydroxy-4-methoxyphenyl)propanoic acid;2-hydroxy-2-methylpropanoic acid
SMILESCC(C)(O)C(=O)O.COc1ccc(CCC(=O)O)cc1O
InChIInChI=1S/C10H12O4.C4H8O3/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13;1-4(2,7)3(5)6/h2,4,6,11H,3,5H2,1H3,(H,12,13);7H,1-2H3,(H,5,6)
InChIKeyRIZJBHAANKTDBV-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.26
Rot. Bonds5

About 3-(3-hydroxy-4-methoxyphenyl)propanoic acid;2-hydroxy-2-methylpropanoic acid

3-(3-hydroxy-4-methoxyphenyl)propanoic acid;2-hydroxy-2-methylpropanoic acid (PubChem CID 160639510) has the molecular formula C14H20O7 and a molecular weight of 300.31 g/mol. Its IUPAC name is 3-(3-hydroxy-4-methoxyphenyl)propanoic acid;2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3-hydroxy-4-methoxyphenyl)propanoic acid;2-hydroxy-2-methylpropanoic acid
PubChem CID160639510
Molecular FormulaC14H20O7
Molecular Weight300.31 g/mol
Exact Mass300.12
IUPAC Name3-(3-hydroxy-4-methoxyphenyl)propanoic acid;2-hydroxy-2-methylpropanoic acid
SMILESCC(C)(O)C(=O)O.COc1ccc(CCC(=O)O)cc1O
InChIInChI=1S/C10H12O4.C4H8O3/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13;1-4(2,7)3(5)6/h2,4,6,11H,3,5H2,1H3,(H,12,13);7H,1-2H3,(H,5,6)
InChIKeyRIZJBHAANKTDBV-UHFFFAOYSA-N
XLogP1.26
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1,7-bis(3-hydroxy-4-methoxyphenyl)heptane-3,5-dione
CID 22501459
ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 10867928
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
3-[4-(carboxymethoxy)-3-methoxyphenyl]propanoic acid
CID 121016138
2-(3-hydroxy-4-methoxyphenyl)ethylcarbamic acid
CID 174214574
3-[2-[2-carboxyethyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]ethyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]propanoic acid
CID 23205610
3-[4-(2-tert-butyl-4-methoxyphenoxy)phenyl]propanoic acid
CID 20989882
3-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]propanoic acid
CID 11015109
3-(3-fluoro-4-methoxyphenyl)propanoic acid;propanedioic acid
CID 67624266
3-deuterio-2-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-2-phenylpropanoic acid
CID 123382824
4-(3-tert-butyl-4-methoxyphenyl)butanoic acid
CID 57172546
3-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]propanoic acid
CID 117379442

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-4-methoxyphenyl)propanoic acid;2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-(3-hydroxy-4-methoxyphenyl)propanoic acid;2-hydroxy-2-methylpropanoic acid (CID 160639510) is 3-(3-hydroxy-4-methoxyphenyl)propanoic acid;2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-(3-hydroxy-4-methoxyphenyl)propanoic acid;2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-(3-hydroxy-4-methoxyphenyl)propanoic acid;2-hydroxy-2-methylpropanoic acid is CC(C)(O)C(=O)O.COc1ccc(CCC(=O)O)cc1O.
What is the InChIKey of 3-(3-hydroxy-4-methoxyphenyl)propanoic acid;2-hydroxy-2-methylpropanoic acid?
The InChIKey is RIZJBHAANKTDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4.C4H8O3/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13;1-4(2,7)3(5)6/h2,4,6,11H,3,5H2,1H3,(H,12,13);7H,1-2H3,(H,5,6).
What are the key properties of 3-(3-hydroxy-4-methoxyphenyl)propanoic acid;2-hydroxy-2-methylpropanoic acid?
3-(3-hydroxy-4-methoxyphenyl)propanoic acid;2-hydroxy-2-methylpropanoic acid has a molecular weight of 300.31 g/mol, XLogP of 1.26, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-4-methoxyphenyl)propanoic acid;2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 160639510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).