3-(3-hydroxyphenyl)-3-methoxypropanoic acid

C10H12O4 — CID 83831133

IUPAC3-(3-hydroxyphenyl)-3-methoxypropanoic acid
SMILESCOC(CC(=O)O)c1cccc(O)c1
InChIInChI=1S/C10H12O4/c1-14-9(6-10(12)13)7-3-2-4-8(11)5-7/h2-5,9,11H,6H2,1H3,(H,12,13)
InChIKeyWRWMXBZKJPMGKX-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.55
Rot. Bonds4

About 3-(3-hydroxyphenyl)-3-methoxypropanoic acid

3-(3-hydroxyphenyl)-3-methoxypropanoic acid (PubChem CID 83831133) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-3-methoxypropanoic acid.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-3-methoxypropanoic acid
PubChem CID83831133
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name3-(3-hydroxyphenyl)-3-methoxypropanoic acid
SMILESCOC(CC(=O)O)c1cccc(O)c1
InChIInChI=1S/C10H12O4/c1-14-9(6-10(12)13)7-3-2-4-8(11)5-7/h2-5,9,11H,6H2,1H3,(H,12,13)
InChIKeyWRWMXBZKJPMGKX-UHFFFAOYSA-N
XLogP1.55
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-3-phenylpropanoic acid
CID 13379217
(3R)-3-(3-hydroxyphenyl)hex-4-enoic acid
CID 67430735
1-(3-hydroxyphenyl)-1-methoxybutan-2-one
CID 83226773
(3R)-3-(3-hydroxyphenyl)hex-5-enoic acid
CID 68730532
[(1R)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl] acetate
CID 171394362
(2S)-2-[[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylamino]butanedioic acid
CID 71428843
methyl 4,4,4-trifluoro-3-(3-hydroxyphenyl)butanoate
CID 71018559
(3S)-3-(3-hydroxyphenyl)-2,4-dimethylpentanoic acid
CID 67429644
ethyl (3R)-3-amino-3-(3-hydroxyphenyl)propanoate
CID 686204
3-methoxy-3-[3-methoxy-4-[3-(4-phenylphenoxy)propoxy]phenyl]propanoic acid
CID 91601490
ethyl (3R)-3-(3-hydroxyphenyl)-4-methoxybutanoate
CID 125042068
methyl 2-(3-hydroxyphenyl)-3-methylsulfanylpropanoate
CID 117243533

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-3-methoxypropanoic acid?
The IUPAC name of 3-(3-hydroxyphenyl)-3-methoxypropanoic acid (CID 83831133) is 3-(3-hydroxyphenyl)-3-methoxypropanoic acid.
What is the SMILES notation for 3-(3-hydroxyphenyl)-3-methoxypropanoic acid?
The canonical SMILES for 3-(3-hydroxyphenyl)-3-methoxypropanoic acid is COC(CC(=O)O)c1cccc(O)c1.
What is the InChIKey of 3-(3-hydroxyphenyl)-3-methoxypropanoic acid?
The InChIKey is WRWMXBZKJPMGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-14-9(6-10(12)13)7-3-2-4-8(11)5-7/h2-5,9,11H,6H2,1H3,(H,12,13).
What are the key properties of 3-(3-hydroxyphenyl)-3-methoxypropanoic acid?
3-(3-hydroxyphenyl)-3-methoxypropanoic acid has a molecular weight of 196.20 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-3-methoxypropanoic acid is sourced from PubChem (CID 83831133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).