3,4-dihydro-2H-chromen-4-yl-(2-methyloxolan-3-yl)methanone

C15H18O3 — CID 79759884

IUPAC3,4-dihydro-2H-chromen-4-yl-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)C1CCOc2ccccc21
InChIInChI=1S/C15H18O3/c1-10-11(6-8-17-10)15(16)13-7-9-18-14-5-3-2-4-12(13)14/h2-5,10-11,13H,6-9H2,1H3
InChIKeySTULFKBDNLAVKW-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.55
Rot. Bonds2

About 3,4-dihydro-2H-chromen-4-yl-(2-methyloxolan-3-yl)methanone

3,4-dihydro-2H-chromen-4-yl-(2-methyloxolan-3-yl)methanone (PubChem CID 79759884) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-4-yl-(2-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-4-yl-(2-methyloxolan-3-yl)methanone
PubChem CID79759884
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name3,4-dihydro-2H-chromen-4-yl-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)C1CCOc2ccccc21
InChIInChI=1S/C15H18O3/c1-10-11(6-8-17-10)15(16)13-7-9-18-14-5-3-2-4-12(13)14/h2-5,10-11,13H,6-9H2,1H3
InChIKeySTULFKBDNLAVKW-UHFFFAOYSA-N
XLogP2.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-chromen-4-yl-(3-methylcyclohexyl)methanone
CID 65407202
1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one
CID 63709569
2-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 63709217
1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethylpentan-1-one
CID 65409112
2-[3,4-dihydro-2H-chromene-4-carbonyl(ethyl)amino]acetic acid
CID 63709185
2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyloxolan-2-yl)ethanone
CID 115798747
N-ethyl-N-(3-hydroxypropyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 115772095
(3-amino-4-methylpyrrolidin-1-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 103575894
3,4-dihydro-2H-chromene-4-carbonyl isothiocyanate
CID 63708672
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-one
CID 55227243
3,4-dihydro-2H-chromen-4-yl-(5-methylthiophen-3-yl)methanone
CID 65407582
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methyloxolan-3-yl)methanone
CID 115783806

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-4-yl-(2-methyloxolan-3-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-4-yl-(2-methyloxolan-3-yl)methanone (CID 79759884) is 3,4-dihydro-2H-chromen-4-yl-(2-methyloxolan-3-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-4-yl-(2-methyloxolan-3-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-4-yl-(2-methyloxolan-3-yl)methanone is CC1OCCC1C(=O)C1CCOc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-chromen-4-yl-(2-methyloxolan-3-yl)methanone?
The InChIKey is STULFKBDNLAVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-10-11(6-8-17-10)15(16)13-7-9-18-14-5-3-2-4-12(13)14/h2-5,10-11,13H,6-9H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-4-yl-(2-methyloxolan-3-yl)methanone?
3,4-dihydro-2H-chromen-4-yl-(2-methyloxolan-3-yl)methanone has a molecular weight of 246.31 g/mol, XLogP of 2.55, 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-4-yl-(2-methyloxolan-3-yl)methanone is sourced from PubChem (CID 79759884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).