3-methoxy-3-phenylpropanoic acid

C10H12O3 — CID 13379217

IUPAC3-methoxy-3-phenylpropanoic acid
SMILESCOC(CC(=O)O)c1ccccc1
InChIInChI=1S/C10H12O3/c1-13-9(7-10(11)12)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,11,12)
InChIKeyHVLYJUCOMBTMTA-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.85
Rot. Bonds4

About 3-methoxy-3-phenylpropanoic acid

3-methoxy-3-phenylpropanoic acid (PubChem CID 13379217) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 3-methoxy-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-methoxy-3-phenylpropanoic acid
PubChem CID13379217
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name3-methoxy-3-phenylpropanoic acid
SMILESCOC(CC(=O)O)c1ccccc1
InChIInChI=1S/C10H12O3/c1-13-9(7-10(11)12)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,11,12)
InChIKeyHVLYJUCOMBTMTA-UHFFFAOYSA-N
XLogP1.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-hydroxyphenyl)-3-methoxypropanoic acid
CID 83831133
ethane;methanamine;methyl 3-methoxy-3-phenylpropanoate
CID 143560170
3-(2-methylpropoxy)-3-phenylpropanoic acid
CID 114988873
[(2R)-2-methoxy-2-phenylethyl] [(2S)-2-methoxy-2-phenylethyl] carbonate
CID 102443903
(2R)-2-methoxy-2-phenylethanol
CID 6950345
3-(2-bromophenyl)-3-methoxypropanoic acid
CID 83844316
3-acetyloxy-3-phenylpropanoic acid;1,1'-biphenyl
CID 19790806
aniline;3-methoxy-N-methyl-3-phenylpropanamide
CID 172564255
(4Z)-4-benzylidene-6-methoxy-6-phenylhexan-3-one
CID 102304313
(E)-3,5-dimethoxy-1,5-diphenylpent-2-en-1-one
CID 71723282
1-methoxy-4-methyl-1-phenylpentan-2-one
CID 86204563
benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-phenylpropanoic acid?
The IUPAC name of 3-methoxy-3-phenylpropanoic acid (CID 13379217) is 3-methoxy-3-phenylpropanoic acid.
What is the SMILES notation for 3-methoxy-3-phenylpropanoic acid?
The canonical SMILES for 3-methoxy-3-phenylpropanoic acid is COC(CC(=O)O)c1ccccc1.
What is the InChIKey of 3-methoxy-3-phenylpropanoic acid?
The InChIKey is HVLYJUCOMBTMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-13-9(7-10(11)12)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,11,12).
What are the key properties of 3-methoxy-3-phenylpropanoic acid?
3-methoxy-3-phenylpropanoic acid has a molecular weight of 180.20 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-phenylpropanoic acid is sourced from PubChem (CID 13379217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).