(4-ethoxy-3,5-dimethylphenyl)methyl 2-[(2S)-oxolan-2-yl]acetate

C17H24O4 — CID 95197435

IUPAC(4-ethoxy-3,5-dimethylphenyl)methyl 2-[(2S)-oxolan-2-yl]acetate
SMILESCCOc1c(C)cc(COC(=O)C[C@@H]2CCCO2)cc1C
InChIInChI=1S/C17H24O4/c1-4-19-17-12(2)8-14(9-13(17)3)11-21-16(18)10-15-6-5-7-20-15/h8-9,15H,4-7,10-11H2,1-3H3/t15-/m0/s1
InChIKeyXIQPGEPCLKRGSW-HNNXBMFYSA-N
MW292.38 g/mol
LogP3.31
Rot. Bonds6

About (4-ethoxy-3,5-dimethylphenyl)methyl 2-[(2S)-oxolan-2-yl]acetate

(4-ethoxy-3,5-dimethylphenyl)methyl 2-[(2S)-oxolan-2-yl]acetate (PubChem CID 95197435) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is (4-ethoxy-3,5-dimethylphenyl)methyl 2-[(2S)-oxolan-2-yl]acetate.

Molecular Properties

Compound Name(4-ethoxy-3,5-dimethylphenyl)methyl 2-[(2S)-oxolan-2-yl]acetate
PubChem CID95197435
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name(4-ethoxy-3,5-dimethylphenyl)methyl 2-[(2S)-oxolan-2-yl]acetate
SMILESCCOc1c(C)cc(COC(=O)C[C@@H]2CCCO2)cc1C
InChIInChI=1S/C17H24O4/c1-4-19-17-12(2)8-14(9-13(17)3)11-21-16(18)10-15-6-5-7-20-15/h8-9,15H,4-7,10-11H2,1-3H3/t15-/m0/s1
InChIKeyXIQPGEPCLKRGSW-HNNXBMFYSA-N
XLogP3.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-ethoxy-3,5-dimethylphenyl)methyl 2-[(2S)-oxolan-2-yl]acetate 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

ethyl 2-(oxepan-2-yl)acetate
CID 14174537
(2-ethoxy-2-oxoethyl) 2-(oxolan-2-yl)acetate
CID 78876031
[3-(dimethylamino)phenyl]methyl 2-(oxolan-2-yl)acetate
CID 56806950
hexyl 2-(oxolan-2-yl)acetate
CID 78876080
1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 95291866
N-[3-(aminomethyl)-4-ethoxyphenyl]-2-(oxolan-2-yl)acetamide
CID 65159293
2,2,2-trichloroethyl 2-(oxolan-2-yl)acetate
CID 54427849
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(2R)-oxolan-2-yl]acetate
CID 95141072
2-[2-bromo-6-ethoxy-4-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide
CID 653263
4-oxopentyl 2-(oxolan-2-yl)acetate
CID 78875192
1-[[(2S)-oxolan-2-yl]methyl]-3-[(3,4,5-triethoxybenzoyl)amino]thiourea
CID 27000622
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65155965

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-3,5-dimethylphenyl)methyl 2-[(2S)-oxolan-2-yl]acetate?
The IUPAC name of (4-ethoxy-3,5-dimethylphenyl)methyl 2-[(2S)-oxolan-2-yl]acetate (CID 95197435) is (4-ethoxy-3,5-dimethylphenyl)methyl 2-[(2S)-oxolan-2-yl]acetate.
What is the SMILES notation for (4-ethoxy-3,5-dimethylphenyl)methyl 2-[(2S)-oxolan-2-yl]acetate?
The canonical SMILES for (4-ethoxy-3,5-dimethylphenyl)methyl 2-[(2S)-oxolan-2-yl]acetate is CCOc1c(C)cc(COC(=O)C[C@@H]2CCCO2)cc1C.
What is the InChIKey of (4-ethoxy-3,5-dimethylphenyl)methyl 2-[(2S)-oxolan-2-yl]acetate?
The InChIKey is XIQPGEPCLKRGSW-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24O4/c1-4-19-17-12(2)8-14(9-13(17)3)11-21-16(18)10-15-6-5-7-20-15/h8-9,15H,4-7,10-11H2,1-3H3/t15-/m0/s1.
What are the key properties of (4-ethoxy-3,5-dimethylphenyl)methyl 2-[(2S)-oxolan-2-yl]acetate?
(4-ethoxy-3,5-dimethylphenyl)methyl 2-[(2S)-oxolan-2-yl]acetate has a molecular weight of 292.38 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-3,5-dimethylphenyl)methyl 2-[(2S)-oxolan-2-yl]acetate is sourced from PubChem (CID 95197435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).