3-ethoxy-2-methyl-2-phenylpropanoic acid

C12H16O3 — CID 174890846

IUPAC3-ethoxy-2-methyl-2-phenylpropanoic acid
SMILESCCOCC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C12H16O3/c1-3-15-9-12(2,11(13)14)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,13,14)
InChIKeyPOVNQPCYFXGWOB-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.07
Rot. Bonds5

About 3-ethoxy-2-methyl-2-phenylpropanoic acid

3-ethoxy-2-methyl-2-phenylpropanoic acid (PubChem CID 174890846) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-ethoxy-2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-ethoxy-2-methyl-2-phenylpropanoic acid
PubChem CID174890846
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name3-ethoxy-2-methyl-2-phenylpropanoic acid
SMILESCCOCC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C12H16O3/c1-3-15-9-12(2,11(13)14)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,13,14)
InChIKeyPOVNQPCYFXGWOB-UHFFFAOYSA-N
XLogP2.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-phenyl-3-propoxypropanoic acid
CID 175070195
2-methyl-3-phenoxy-2-phenylpropanoic acid
CID 174875676
(2-ethoxy-1,1-diphenylethyl)benzene
CID 58693364
3-bromo-2-methyl-2-phenylpropanoic acid
CID 131843257
4-(ethoxyamino)-2-methyl-4-oxo-2-phenylbutanoic acid
CID 64974001
calcium;hydride;2-methyl-2-phenylhexanoic acid
CID 175225013
4,4,4-trifluoro-2-methyl-2-phenylbutanoic acid
CID 146082222
2-methyl-2-phenyldecanoic acid
CID 154177551
2-methyl-2-phenylnonadecanoic acid
CID 140988291
2,4-dimethyl-2-phenylpent-4-enoic acid
CID 69253057
methyl 2-methyl-2-phenylbutanoate
CID 562613
ethoxyethane;triphenylmethanol
CID 70428584

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-methyl-2-phenylpropanoic acid?
The IUPAC name of 3-ethoxy-2-methyl-2-phenylpropanoic acid (CID 174890846) is 3-ethoxy-2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 3-ethoxy-2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 3-ethoxy-2-methyl-2-phenylpropanoic acid is CCOCC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-ethoxy-2-methyl-2-phenylpropanoic acid?
The InChIKey is POVNQPCYFXGWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-3-15-9-12(2,11(13)14)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,13,14).
What are the key properties of 3-ethoxy-2-methyl-2-phenylpropanoic acid?
3-ethoxy-2-methyl-2-phenylpropanoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 174890846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).