(3-methyloxolan-2-yl)-(3-propylphenyl)methanone

C15H20O2 — CID 115812017

IUPAC(3-methyloxolan-2-yl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)C2OCCC2C)c1
InChIInChI=1S/C15H20O2/c1-3-5-12-6-4-7-13(10-12)14(16)15-11(2)8-9-17-15/h4,6-7,10-11,15H,3,5,8-9H2,1-2H3
InChIKeyWCUWREVOJIUEFM-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.25
Rot. Bonds4

About (3-methyloxolan-2-yl)-(3-propylphenyl)methanone

(3-methyloxolan-2-yl)-(3-propylphenyl)methanone (PubChem CID 115812017) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (3-methyloxolan-2-yl)-(3-propylphenyl)methanone.

Molecular Properties

Compound Name(3-methyloxolan-2-yl)-(3-propylphenyl)methanone
PubChem CID115812017
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(3-methyloxolan-2-yl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)C2OCCC2C)c1
InChIInChI=1S/C15H20O2/c1-3-5-12-6-4-7-13(10-12)14(16)15-11(2)8-9-17-15/h4,6-7,10-11,15H,3,5,8-9H2,1-2H3
InChIKeyWCUWREVOJIUEFM-UHFFFAOYSA-N
XLogP3.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-methyloxolan-2-yl)-(3-propylphenyl)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

6-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methanone
CID 115812266
1,4-oxathian-2-yl-(3-propylphenyl)methanone
CID 116543386
2,3-dihydro-1-benzofuran-3-yl-(3-propylphenyl)methanone
CID 116543458
(4-tert-butylcyclohexyl)-(3-propylphenyl)methanone
CID 116543285
(3-propylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone
CID 105134013
2-morpholin-2-yl-1-(3-propylphenyl)ethanone
CID 116586299
3-amino-3-cyclopropyl-1-(3-propylphenyl)propan-1-one
CID 116608801
methyl 3-propylbenzoate
CID 12861009
2-amino-1-(3-propylphenyl)ethanone
CID 116548428
3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3-propylphenyl)methanone
CID 116550292
3-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82741453
(2,3-dichlorophenyl)-(3-methyloxolan-2-yl)methanone
CID 114970423

Frequently Asked Questions

What is the IUPAC name of (3-methyloxolan-2-yl)-(3-propylphenyl)methanone?
The IUPAC name of (3-methyloxolan-2-yl)-(3-propylphenyl)methanone (CID 115812017) is (3-methyloxolan-2-yl)-(3-propylphenyl)methanone.
What is the SMILES notation for (3-methyloxolan-2-yl)-(3-propylphenyl)methanone?
The canonical SMILES for (3-methyloxolan-2-yl)-(3-propylphenyl)methanone is CCCc1cccc(C(=O)C2OCCC2C)c1.
What is the InChIKey of (3-methyloxolan-2-yl)-(3-propylphenyl)methanone?
The InChIKey is WCUWREVOJIUEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-3-5-12-6-4-7-13(10-12)14(16)15-11(2)8-9-17-15/h4,6-7,10-11,15H,3,5,8-9H2,1-2H3.
What are the key properties of (3-methyloxolan-2-yl)-(3-propylphenyl)methanone?
(3-methyloxolan-2-yl)-(3-propylphenyl)methanone has a molecular weight of 232.32 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxolan-2-yl)-(3-propylphenyl)methanone is sourced from PubChem (CID 115812017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).