3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethylfuran-3-yl)methanone

C17H18O3 — CID 115811307

IUPAC3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1oc(C)c(C(=O)c2cccc3c2OCCC3)c1C
InChIInChI=1S/C17H18O3/c1-10-11(2)20-12(3)15(10)16(18)14-8-4-6-13-7-5-9-19-17(13)14/h4,6,8H,5,7,9H2,1-3H3
InChIKeyHRWVUEVQPBKFQH-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.76
Rot. Bonds2

About 3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethylfuran-3-yl)methanone

3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethylfuran-3-yl)methanone (PubChem CID 115811307) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethylfuran-3-yl)methanone
PubChem CID115811307
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1oc(C)c(C(=O)c2cccc3c2OCCC3)c1C
InChIInChI=1S/C17H18O3/c1-10-11(2)20-12(3)15(10)16(18)14-8-4-6-13-7-5-9-19-17(13)14/h4,6,8H,5,7,9H2,1-3H3
InChIKeyHRWVUEVQPBKFQH-UHFFFAOYSA-N
XLogP3.76
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethylfuran-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

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethylfuran-3-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethylfuran-3-yl)methanone (CID 115811307) is 3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethylfuran-3-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethylfuran-3-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethylfuran-3-yl)methanone is Cc1oc(C)c(C(=O)c2cccc3c2OCCC3)c1C.
What is the InChIKey of 3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethylfuran-3-yl)methanone?
The InChIKey is HRWVUEVQPBKFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-10-11(2)20-12(3)15(10)16(18)14-8-4-6-13-7-5-9-19-17(13)14/h4,6,8H,5,7,9H2,1-3H3.
What are the key properties of 3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethylfuran-3-yl)methanone?
3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethylfuran-3-yl)methanone has a molecular weight of 270.33 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethylfuran-3-yl)methanone is sourced from PubChem (CID 115811307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).