3-[(2,4,6-trimethylphenyl)methyl]oxolane-3-carboxylic acid

C15H20O3 — CID 62739415

IUPAC3-[(2,4,6-trimethylphenyl)methyl]oxolane-3-carboxylic acid
SMILESCc1cc(C)c(CC2(C(=O)O)CCOC2)c(C)c1
InChIInChI=1S/C15H20O3/c1-10-6-11(2)13(12(3)7-10)8-15(14(16)17)4-5-18-9-15/h6-7H,4-5,8-9H2,1-3H3,(H,16,17)
InChIKeyFZHGZZLVOJMHPS-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.65
Rot. Bonds3

About 3-[(2,4,6-trimethylphenyl)methyl]oxolane-3-carboxylic acid

3-[(2,4,6-trimethylphenyl)methyl]oxolane-3-carboxylic acid (PubChem CID 62739415) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 3-[(2,4,6-trimethylphenyl)methyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(2,4,6-trimethylphenyl)methyl]oxolane-3-carboxylic acid
PubChem CID62739415
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name3-[(2,4,6-trimethylphenyl)methyl]oxolane-3-carboxylic acid
SMILESCc1cc(C)c(CC2(C(=O)O)CCOC2)c(C)c1
InChIInChI=1S/C15H20O3/c1-10-6-11(2)13(12(3)7-10)8-15(14(16)17)4-5-18-9-15/h6-7H,4-5,8-9H2,1-3H3,(H,16,17)
InChIKeyFZHGZZLVOJMHPS-UHFFFAOYSA-N
XLogP2.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(2,4,6-trimethylphenyl)methyl]oxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2,5-dimethylphenyl)methyl]oxolane-3-carboxylic acid
CID 62740971
4-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1-carboxylic acid
CID 65395327
methyl 3-[(2,4,6-trimethylphenyl)methyl]oxetane-3-carboxylate
CID 116930223
3-[(N,3,5-trimethylanilino)methyl]oxolane-3-carboxylic acid
CID 62270868
3-[[(2,4,6-trimethylphenyl)methylamino]methyl]oxetane-3-carboxylic acid
CID 115248425
3-[(2,5-dimethylphenyl)methyl]oxane-3-carboxylic acid
CID 63015767
3-ethyloxolane-3-carboxylic acid
CID 62740785
3-(thiophen-3-ylmethyl)oxolane-3-carboxylic acid
CID 62740627
3-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxylic acid
CID 79424949
methyl 1-[(2,4,6-trimethylphenyl)methyl]cyclopropane-1-carboxylate
CID 116929803
3-[(4-fluorophenyl)methyl]oxolane-3-carboxylic acid
CID 62740795
4-[(3,4-dimethylphenyl)methyl]oxane-4-carboxylic acid
CID 55132767

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4,6-trimethylphenyl)methyl]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(2,4,6-trimethylphenyl)methyl]oxolane-3-carboxylic acid (CID 62739415) is 3-[(2,4,6-trimethylphenyl)methyl]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(2,4,6-trimethylphenyl)methyl]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(2,4,6-trimethylphenyl)methyl]oxolane-3-carboxylic acid is Cc1cc(C)c(CC2(C(=O)O)CCOC2)c(C)c1.
What is the InChIKey of 3-[(2,4,6-trimethylphenyl)methyl]oxolane-3-carboxylic acid?
The InChIKey is FZHGZZLVOJMHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-10-6-11(2)13(12(3)7-10)8-15(14(16)17)4-5-18-9-15/h6-7H,4-5,8-9H2,1-3H3,(H,16,17).
What are the key properties of 3-[(2,4,6-trimethylphenyl)methyl]oxolane-3-carboxylic acid?
3-[(2,4,6-trimethylphenyl)methyl]oxolane-3-carboxylic acid has a molecular weight of 248.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4,6-trimethylphenyl)methyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 62739415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).