(2,5-dimethylfuran-3-yl)-(1-phenylcyclopropyl)methanone

C16H16O2 — CID 62879168

IUPAC(2,5-dimethylfuran-3-yl)-(1-phenylcyclopropyl)methanone
SMILESCc1cc(C(=O)C2(c3ccccc3)CC2)c(C)o1
InChIInChI=1S/C16H16O2/c1-11-10-14(12(2)18-11)15(17)16(8-9-16)13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3
InChIKeyDJHDOYGGZLEOBO-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.81
Rot. Bonds3

About (2,5-dimethylfuran-3-yl)-(1-phenylcyclopropyl)methanone

(2,5-dimethylfuran-3-yl)-(1-phenylcyclopropyl)methanone (PubChem CID 62879168) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(1-phenylcyclopropyl)methanone
PubChem CID62879168
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name(2,5-dimethylfuran-3-yl)-(1-phenylcyclopropyl)methanone
SMILESCc1cc(C(=O)C2(c3ccccc3)CC2)c(C)o1
InChIInChI=1S/C16H16O2/c1-11-10-14(12(2)18-11)15(17)16(8-9-16)13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3
InChIKeyDJHDOYGGZLEOBO-UHFFFAOYSA-N
XLogP3.81
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2,5-dimethylfuran-3-yl)-(1-phenylcyclopropyl)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

(2-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanone
CID 55181920
(2-chlorophenyl)-(1-phenylcyclopropyl)methanone
CID 63080543
2-methyl-5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-3-carboxylic acid
CID 119226970
1-(2,5-dimethylfuran-3-yl)-3-phenylpropane-1,3-dione
CID 43321269
(2,5-dichlorothiophen-3-yl)-(1-phenylcyclopropyl)methanone
CID 55129258
(2-methylthiophen-3-yl)-(4-phenyloxan-4-yl)methanone
CID 102830738
(5-chloro-4-methylthiophen-2-yl)-(1-phenylcyclopropyl)methanone
CID 102763056
N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
(1-methylindol-3-yl)-(1-phenylcyclopropyl)methanone
CID 62877077
(1-phenylcyclopropyl)-quinolin-5-ylmethanone
CID 81197158
(2-methoxyphenyl)-(1-phenylcyclopentyl)methanone
CID 63410127
(4-ethylphenyl)-(1-phenylcyclopropyl)methanone
CID 62879139

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(1-phenylcyclopropyl)methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(1-phenylcyclopropyl)methanone (CID 62879168) is (2,5-dimethylfuran-3-yl)-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(1-phenylcyclopropyl)methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(1-phenylcyclopropyl)methanone is Cc1cc(C(=O)C2(c3ccccc3)CC2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(1-phenylcyclopropyl)methanone?
The InChIKey is DJHDOYGGZLEOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-11-10-14(12(2)18-11)15(17)16(8-9-16)13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(1-phenylcyclopropyl)methanone?
(2,5-dimethylfuran-3-yl)-(1-phenylcyclopropyl)methanone has a molecular weight of 240.30 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 62879168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).