2-methyl-2-[3-(oxolan-3-yl)phenyl]propanoic acid

C14H18O3 — CID 84796946

IUPAC2-methyl-2-[3-(oxolan-3-yl)phenyl]propanoic acid
SMILESCC(C)(C(=O)O)c1cccc(C2CCOC2)c1
InChIInChI=1S/C14H18O3/c1-14(2,13(15)16)12-5-3-4-10(8-12)11-6-7-17-9-11/h3-5,8,11H,6-7,9H2,1-2H3,(H,15,16)
InChIKeyGQNIHKRQKSQVJR-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.55
Rot. Bonds3

About 2-methyl-2-[3-(oxolan-3-yl)phenyl]propanoic acid

2-methyl-2-[3-(oxolan-3-yl)phenyl]propanoic acid (PubChem CID 84796946) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-methyl-2-[3-(oxolan-3-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[3-(oxolan-3-yl)phenyl]propanoic acid
PubChem CID84796946
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name2-methyl-2-[3-(oxolan-3-yl)phenyl]propanoic acid
SMILESCC(C)(C(=O)O)c1cccc(C2CCOC2)c1
InChIInChI=1S/C14H18O3/c1-14(2,13(15)16)12-5-3-4-10(8-12)11-6-7-17-9-11/h3-5,8,11H,6-7,9H2,1-2H3,(H,15,16)
InChIKeyGQNIHKRQKSQVJR-UHFFFAOYSA-N
XLogP2.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(oxolan-3-yl)phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[3-(oxolan-3-yl)phenyl]propanoic acid (CID 84796946) is 2-methyl-2-[3-(oxolan-3-yl)phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[3-(oxolan-3-yl)phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[3-(oxolan-3-yl)phenyl]propanoic acid is CC(C)(C(=O)O)c1cccc(C2CCOC2)c1.
What is the InChIKey of 2-methyl-2-[3-(oxolan-3-yl)phenyl]propanoic acid?
The InChIKey is GQNIHKRQKSQVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-14(2,13(15)16)12-5-3-4-10(8-12)11-6-7-17-9-11/h3-5,8,11H,6-7,9H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-2-[3-(oxolan-3-yl)phenyl]propanoic acid?
2-methyl-2-[3-(oxolan-3-yl)phenyl]propanoic acid has a molecular weight of 234.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(oxolan-3-yl)phenyl]propanoic acid is sourced from PubChem (CID 84796946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).