(4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanone

C14H18O3 — CID 81330105

IUPAC(4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanone
SMILESCCOc1ccc(C(=O)C2CCC(C)O2)cc1
InChIInChI=1S/C14H18O3/c1-3-16-12-7-5-11(6-8-12)14(15)13-9-4-10(2)17-13/h5-8,10,13H,3-4,9H2,1-2H3
InChIKeyGZSVMIPBMCLTIO-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.84
Rot. Bonds4

About (4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanone

(4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanone (PubChem CID 81330105) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanone
PubChem CID81330105
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name(4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanone
SMILESCCOc1ccc(C(=O)C2CCC(C)O2)cc1
InChIInChI=1S/C14H18O3/c1-3-16-12-7-5-11(6-8-12)14(15)13-9-4-10(2)17-13/h5-8,10,13H,3-4,9H2,1-2H3
InChIKeyGZSVMIPBMCLTIO-UHFFFAOYSA-N
XLogP2.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanone 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

(4-ethoxyphenyl)-(oxolan-3-yl)methanone
CID 61272590
(4-ethoxyphenyl)-morpholin-2-ylmethanone
CID 116561587
(5-ethylthiophen-2-yl)-(5-methyloxolan-2-yl)methanone
CID 81331029
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(4-ethoxyphenyl)ethanone
CID 93026036
(4-ethoxyphenyl)-(3-ethylcyclopentyl)methanone
CID 65407752
2-ethoxy-1-(4-ethoxyphenyl)-2-ethylbutan-1-one
CID 116747344
(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-(4-ethoxyphenyl)methanone
CID 171946941
(4-ethoxyphenyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171946940
(4-ethoxyphenyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171946948
(2R,5S)-5-[(4-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944299
1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one
CID 18728715
(3,3-difluorocyclohexyl)-(4-ethoxyphenyl)methanone
CID 114215551

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanone?
The IUPAC name of (4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanone (CID 81330105) is (4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanone.
What is the SMILES notation for (4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanone?
The canonical SMILES for (4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanone is CCOc1ccc(C(=O)C2CCC(C)O2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanone?
The InChIKey is GZSVMIPBMCLTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-3-16-12-7-5-11(6-8-12)14(15)13-9-4-10(2)17-13/h5-8,10,13H,3-4,9H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanone?
(4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanone has a molecular weight of 234.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanone is sourced from PubChem (CID 81330105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).