(5-methylfuran-2-yl)-(oxan-3-yl)methanone

C11H14O3 — CID 63011733

IUPAC(5-methylfuran-2-yl)-(oxan-3-yl)methanone
SMILESCc1ccc(C(=O)C2CCCOC2)o1
InChIInChI=1S/C11H14O3/c1-8-4-5-10(14-8)11(12)9-3-2-6-13-7-9/h4-5,9H,2-3,6-7H2,1H3
InChIKeyAMYMUMSAWNTSSM-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.20
Rot. Bonds2

About (5-methylfuran-2-yl)-(oxan-3-yl)methanone

(5-methylfuran-2-yl)-(oxan-3-yl)methanone (PubChem CID 63011733) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (5-methylfuran-2-yl)-(oxan-3-yl)methanone.

Molecular Properties

Compound Name(5-methylfuran-2-yl)-(oxan-3-yl)methanone
PubChem CID63011733
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(5-methylfuran-2-yl)-(oxan-3-yl)methanone
SMILESCc1ccc(C(=O)C2CCCOC2)o1
InChIInChI=1S/C11H14O3/c1-8-4-5-10(14-8)11(12)9-3-2-6-13-7-9/h4-5,9H,2-3,6-7H2,1H3
InChIKeyAMYMUMSAWNTSSM-UHFFFAOYSA-N
XLogP2.20
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-methylfuran-2-yl)-(oxan-3-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

5-(oxane-3-carbonyl)furan-2-carboxylic acid
CID 106946719
(5-methylfuran-2-yl)-piperidin-3-ylmethanone
CID 116916948
(5-methylfuran-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 115783846
oxan-3-yl(phenyl)methanone
CID 63011351
(1,1-dioxothiolan-3-yl)-(5-methylfuran-2-yl)methanone
CID 64913805
[4-(2-aminoethyl)phenyl]-(oxan-3-yl)methanone
CID 107138390
(2,6-dichlorophenyl)-(oxan-3-yl)methanone
CID 107138536
(2-bromo-5-methylphenyl)-(oxan-3-yl)methanone
CID 107138551
(3-fluoro-4-methylphenyl)-(oxan-3-yl)methanone
CID 107128324
(4-fluoro-2,6-dimethylphenyl)-(oxan-3-yl)methanone
CID 106876876
(3R)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(3R)-oxane-3-carbonyl]amino]ethyl]oxane-3-carboxamide
CID 97246443
cyclohexen-1-yl(oxan-3-yl)methanone
CID 63011735

Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-2-yl)-(oxan-3-yl)methanone?
The IUPAC name of (5-methylfuran-2-yl)-(oxan-3-yl)methanone (CID 63011733) is (5-methylfuran-2-yl)-(oxan-3-yl)methanone.
What is the SMILES notation for (5-methylfuran-2-yl)-(oxan-3-yl)methanone?
The canonical SMILES for (5-methylfuran-2-yl)-(oxan-3-yl)methanone is Cc1ccc(C(=O)C2CCCOC2)o1.
What is the InChIKey of (5-methylfuran-2-yl)-(oxan-3-yl)methanone?
The InChIKey is AMYMUMSAWNTSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8-4-5-10(14-8)11(12)9-3-2-6-13-7-9/h4-5,9H,2-3,6-7H2,1H3.
What are the key properties of (5-methylfuran-2-yl)-(oxan-3-yl)methanone?
(5-methylfuran-2-yl)-(oxan-3-yl)methanone has a molecular weight of 194.23 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-2-yl)-(oxan-3-yl)methanone is sourced from PubChem (CID 63011733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).