3-methoxy-2-methyl-2-phenylpentanoic acid

C13H18O3 — CID 175507222

IUPAC3-methoxy-2-methyl-2-phenylpentanoic acid
SMILESCCC(OC)C(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C13H18O3/c1-4-11(16-3)13(2,12(14)15)10-8-6-5-7-9-10/h5-9,11H,4H2,1-3H3,(H,14,15)
InChIKeyRMRUQUVLCFLRHW-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.45
Rot. Bonds5

About 3-methoxy-2-methyl-2-phenylpentanoic acid

3-methoxy-2-methyl-2-phenylpentanoic acid (PubChem CID 175507222) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 3-methoxy-2-methyl-2-phenylpentanoic acid.

Molecular Properties

Compound Name3-methoxy-2-methyl-2-phenylpentanoic acid
PubChem CID175507222
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name3-methoxy-2-methyl-2-phenylpentanoic acid
SMILESCCC(OC)C(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C13H18O3/c1-4-11(16-3)13(2,12(14)15)10-8-6-5-7-9-10/h5-9,11H,4H2,1-3H3,(H,14,15)
InChIKeyRMRUQUVLCFLRHW-UHFFFAOYSA-N
XLogP2.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-2-methyl-2-phenylpentanoic acid
CID 158698282
4-amino-2,3-dimethyl-2-phenylbutanoic acid
CID 143150739
(3-ethoxy-2-phenylpentan-2-yl) hydrogen carbonate
CID 90300567
(4-methyl-4-phenylhexan-3-yl) acetate
CID 175239854
3-amino-2-methyl-2-phenylbutanoic acid
CID 67114284
2-methoxy-2,2-diphenylacetic acid;pentan-3-amine
CID 173385536
ethyl (2R,3S)-2-bromo-3-hydroxy-3-phenylbutanoate
CID 11500207
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
methyl 2-ethyl-3-hydroxy-3-phenylpentanoate
CID 62394588
3-methoxy-2-methyl-2-phenylbutane-1,1,1-triol
CID 175119768
3-methoxy-1,1-diphenylbutan-1-ol
CID 13380056

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-2-phenylpentanoic acid?
The IUPAC name of 3-methoxy-2-methyl-2-phenylpentanoic acid (CID 175507222) is 3-methoxy-2-methyl-2-phenylpentanoic acid.
What is the SMILES notation for 3-methoxy-2-methyl-2-phenylpentanoic acid?
The canonical SMILES for 3-methoxy-2-methyl-2-phenylpentanoic acid is CCC(OC)C(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-methoxy-2-methyl-2-phenylpentanoic acid?
The InChIKey is RMRUQUVLCFLRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-4-11(16-3)13(2,12(14)15)10-8-6-5-7-9-10/h5-9,11H,4H2,1-3H3,(H,14,15).
What are the key properties of 3-methoxy-2-methyl-2-phenylpentanoic acid?
3-methoxy-2-methyl-2-phenylpentanoic acid has a molecular weight of 222.28 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-2-phenylpentanoic acid is sourced from PubChem (CID 175507222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).