(5-methyloxolan-3-yl)-(4-propoxyphenyl)methanone

C15H20O3 — CID 114971025

IUPAC(5-methyloxolan-3-yl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)C2COC(C)C2)cc1
InChIInChI=1S/C15H20O3/c1-3-8-17-14-6-4-12(5-7-14)15(16)13-9-11(2)18-10-13/h4-7,11,13H,3,8-10H2,1-2H3
InChIKeyYOTRRHHIYSNLFE-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.08
Rot. Bonds5

About (5-methyloxolan-3-yl)-(4-propoxyphenyl)methanone

(5-methyloxolan-3-yl)-(4-propoxyphenyl)methanone (PubChem CID 114971025) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (5-methyloxolan-3-yl)-(4-propoxyphenyl)methanone.

Molecular Properties

Compound Name(5-methyloxolan-3-yl)-(4-propoxyphenyl)methanone
PubChem CID114971025
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(5-methyloxolan-3-yl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)C2COC(C)C2)cc1
InChIInChI=1S/C15H20O3/c1-3-8-17-14-6-4-12(5-7-14)15(16)13-9-11(2)18-10-13/h4-7,11,13H,3,8-10H2,1-2H3
InChIKeyYOTRRHHIYSNLFE-UHFFFAOYSA-N
XLogP3.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethylcyclohexyl)-(4-propoxyphenyl)methanone
CID 65402526
(4-butoxyphenyl)-(3-methylcyclohexyl)methanone
CID 105106502
(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanone
CID 114824695
3-(4-propoxybenzoyl)cyclohexan-1-one
CID 79625101
morpholin-2-yl-(4-propoxyphenyl)methanone
CID 116561682
(2-methylpyrrolidin-3-yl)-(4-propoxyphenyl)methanone
CID 116592105
1-(5-methyloxolan-3-yl)-2-propoxyethanone
CID 115783118
3-[(4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032521
(2-aminocyclohexyl)-(4-propoxyphenyl)methanone
CID 116579889
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-methyloxolane-3-carboxamide
CID 136534437
(3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone
CID 135325812
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone
CID 55501802

Frequently Asked Questions

What is the IUPAC name of (5-methyloxolan-3-yl)-(4-propoxyphenyl)methanone?
The IUPAC name of (5-methyloxolan-3-yl)-(4-propoxyphenyl)methanone (CID 114971025) is (5-methyloxolan-3-yl)-(4-propoxyphenyl)methanone.
What is the SMILES notation for (5-methyloxolan-3-yl)-(4-propoxyphenyl)methanone?
The canonical SMILES for (5-methyloxolan-3-yl)-(4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)C2COC(C)C2)cc1.
What is the InChIKey of (5-methyloxolan-3-yl)-(4-propoxyphenyl)methanone?
The InChIKey is YOTRRHHIYSNLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-3-8-17-14-6-4-12(5-7-14)15(16)13-9-11(2)18-10-13/h4-7,11,13H,3,8-10H2,1-2H3.
What are the key properties of (5-methyloxolan-3-yl)-(4-propoxyphenyl)methanone?
(5-methyloxolan-3-yl)-(4-propoxyphenyl)methanone has a molecular weight of 248.32 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyloxolan-3-yl)-(4-propoxyphenyl)methanone is sourced from PubChem (CID 114971025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).