3,4-dihydro-2H-chromen-6-yl-(2,4,5-trimethylfuran-3-yl)methanone

C17H18O3 — CID 65151786

IUPAC3,4-dihydro-2H-chromen-6-yl-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1oc(C)c(C(=O)c2ccc3c(c2)CCCO3)c1C
InChIInChI=1S/C17H18O3/c1-10-11(2)20-12(3)16(10)17(18)14-6-7-15-13(9-14)5-4-8-19-15/h6-7,9H,4-5,8H2,1-3H3
InChIKeyNEKAEJLPZMIUGM-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.76
Rot. Bonds2

About 3,4-dihydro-2H-chromen-6-yl-(2,4,5-trimethylfuran-3-yl)methanone

3,4-dihydro-2H-chromen-6-yl-(2,4,5-trimethylfuran-3-yl)methanone (PubChem CID 65151786) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-6-yl-(2,4,5-trimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-6-yl-(2,4,5-trimethylfuran-3-yl)methanone
PubChem CID65151786
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name3,4-dihydro-2H-chromen-6-yl-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1oc(C)c(C(=O)c2ccc3c(c2)CCCO3)c1C
InChIInChI=1S/C17H18O3/c1-10-11(2)20-12(3)16(10)17(18)14-6-7-15-13(9-14)5-4-8-19-15/h6-7,9H,4-5,8H2,1-3H3
InChIKeyNEKAEJLPZMIUGM-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

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Related Compounds

3,4-dihydro-2H-chromen-6-yl-(3-methylphenyl)methanone
CID 54908650
3,4-dihydro-2H-chromen-6-yl-(2,4,6-trifluorophenyl)methanone
CID 65101149
3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethylfuran-3-yl)methanone
CID 115811307
1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-2-methylpropan-1-one
CID 116920405
2,2-dichloro-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 116827170
3,4-dihydro-2H-chromen-6-yl-(3,4,5-trifluorophenyl)methanone
CID 63187549
N,N-diethyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693371
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 10352535
3-(3,4-dihydro-2H-chromen-6-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 116918114
2,3-dihydro-1-benzofuran-5-yl-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106877027
3-(3,4-dihydro-2H-chromen-6-yl)-2-methyl-3-oxopropanoic acid
CID 116918231
3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanone
CID 79685466

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-6-yl-(2,4,5-trimethylfuran-3-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-6-yl-(2,4,5-trimethylfuran-3-yl)methanone (CID 65151786) is 3,4-dihydro-2H-chromen-6-yl-(2,4,5-trimethylfuran-3-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-6-yl-(2,4,5-trimethylfuran-3-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-6-yl-(2,4,5-trimethylfuran-3-yl)methanone is Cc1oc(C)c(C(=O)c2ccc3c(c2)CCCO3)c1C.
What is the InChIKey of 3,4-dihydro-2H-chromen-6-yl-(2,4,5-trimethylfuran-3-yl)methanone?
The InChIKey is NEKAEJLPZMIUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-10-11(2)20-12(3)16(10)17(18)14-6-7-15-13(9-14)5-4-8-19-15/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 3,4-dihydro-2H-chromen-6-yl-(2,4,5-trimethylfuran-3-yl)methanone?
3,4-dihydro-2H-chromen-6-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-6-yl-(2,4,5-trimethylfuran-3-yl)methanone is sourced from PubChem (CID 65151786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).