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

C14H18O3 — CID 83841508

IUPAC2-methyl-3-[2-(oxolan-3-yl)phenyl]propanoic acid
SMILESCC(Cc1ccccc1C1CCOC1)C(=O)O
InChIInChI=1S/C14H18O3/c1-10(14(15)16)8-11-4-2-3-5-13(11)12-6-7-17-9-12/h2-5,10,12H,6-9H2,1H3,(H,15,16)
InChIKeyJWMSQLCMRXSASA-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.45
Rot. Bonds4

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

2-methyl-3-[2-(oxolan-3-yl)phenyl]propanoic acid (PubChem CID 83841508) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-methyl-3-[2-(oxolan-3-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[2-(oxolan-3-yl)phenyl]propanoic acid
PubChem CID83841508
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name2-methyl-3-[2-(oxolan-3-yl)phenyl]propanoic acid
SMILESCC(Cc1ccccc1C1CCOC1)C(=O)O
InChIInChI=1S/C14H18O3/c1-10(14(15)16)8-11-4-2-3-5-13(11)12-6-7-17-9-12/h2-5,10,12H,6-9H2,1H3,(H,15,16)
InChIKeyJWMSQLCMRXSASA-UHFFFAOYSA-N
XLogP2.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(oxolan-3-yl)phenyl]propanoic acid?
The IUPAC name of 2-methyl-3-[2-(oxolan-3-yl)phenyl]propanoic acid (CID 83841508) is 2-methyl-3-[2-(oxolan-3-yl)phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[2-(oxolan-3-yl)phenyl]propanoic acid?
The canonical SMILES for 2-methyl-3-[2-(oxolan-3-yl)phenyl]propanoic acid is CC(Cc1ccccc1C1CCOC1)C(=O)O.
What is the InChIKey of 2-methyl-3-[2-(oxolan-3-yl)phenyl]propanoic acid?
The InChIKey is JWMSQLCMRXSASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-10(14(15)16)8-11-4-2-3-5-13(11)12-6-7-17-9-12/h2-5,10,12H,6-9H2,1H3,(H,15,16).
What are the key properties of 2-methyl-3-[2-(oxolan-3-yl)phenyl]propanoic acid?
2-methyl-3-[2-(oxolan-3-yl)phenyl]propanoic acid has a molecular weight of 234.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(oxolan-3-yl)phenyl]propanoic acid is sourced from PubChem (CID 83841508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).