1,3-benzodioxol-5-yl(3,4-dihydro-2H-chromen-4-yl)methanone

C17H14O4 — CID 63709213

IUPAC1,3-benzodioxol-5-yl(3,4-dihydro-2H-chromen-4-yl)methanone
SMILESO=C(c1ccc2c(c1)OCO2)C1CCOc2ccccc21
InChIInChI=1S/C17H14O4/c18-17(11-5-6-15-16(9-11)21-10-20-15)13-7-8-19-14-4-2-1-3-12(13)14/h1-6,9,13H,7-8,10H2
InChIKeyBUUWBDKSPJWMEW-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.16
Rot. Bonds2

About 1,3-benzodioxol-5-yl(3,4-dihydro-2H-chromen-4-yl)methanone

1,3-benzodioxol-5-yl(3,4-dihydro-2H-chromen-4-yl)methanone (PubChem CID 63709213) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl(3,4-dihydro-2H-chromen-4-yl)methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl(3,4-dihydro-2H-chromen-4-yl)methanone
PubChem CID63709213
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name1,3-benzodioxol-5-yl(3,4-dihydro-2H-chromen-4-yl)methanone
SMILESO=C(c1ccc2c(c1)OCO2)C1CCOc2ccccc21
InChIInChI=1S/C17H14O4/c18-17(11-5-6-15-16(9-11)21-10-20-15)13-7-8-19-14-4-2-1-3-12(13)14/h1-6,9,13H,7-8,10H2
InChIKeyBUUWBDKSPJWMEW-UHFFFAOYSA-N
XLogP3.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-chromen-4-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 63708813
3,4-dihydro-2H-chromen-4-yl-(5-methylthiophen-3-yl)methanone
CID 65407582
3,4-dihydro-2H-chromen-4-yl-(3-nitrophenyl)methanone
CID 63709388
cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 772237
(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 63708637
1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one
CID 63709569
1a,2,3,8b-tetrahydrooxireno[2,3-d][1]benzoxepine
CID 13149080
2-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 63709217
1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 53498052
3,4-dihydro-2H-chromen-4-yl-(2-methoxy-5-methylphenyl)methanone
CID 63709183
cyclobutyl(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 43159932
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(9H-fluoren-9-yl)piperidin-4-yl]methanone
CID 52679341

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl(3,4-dihydro-2H-chromen-4-yl)methanone?
The IUPAC name of 1,3-benzodioxol-5-yl(3,4-dihydro-2H-chromen-4-yl)methanone (CID 63709213) is 1,3-benzodioxol-5-yl(3,4-dihydro-2H-chromen-4-yl)methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl(3,4-dihydro-2H-chromen-4-yl)methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl(3,4-dihydro-2H-chromen-4-yl)methanone is O=C(c1ccc2c(c1)OCO2)C1CCOc2ccccc21.
What is the InChIKey of 1,3-benzodioxol-5-yl(3,4-dihydro-2H-chromen-4-yl)methanone?
The InChIKey is BUUWBDKSPJWMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c18-17(11-5-6-15-16(9-11)21-10-20-15)13-7-8-19-14-4-2-1-3-12(13)14/h1-6,9,13H,7-8,10H2.
What are the key properties of 1,3-benzodioxol-5-yl(3,4-dihydro-2H-chromen-4-yl)methanone?
1,3-benzodioxol-5-yl(3,4-dihydro-2H-chromen-4-yl)methanone has a molecular weight of 282.30 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl(3,4-dihydro-2H-chromen-4-yl)methanone is sourced from PubChem (CID 63709213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).