1-(3,4-dihydro-2H-chromen-8-yl)ethanone

C11H12O2 — CID 82599043

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)ethanone
SMILESCC(=O)c1cccc2c1OCCC2
InChIInChI=1S/C11H12O2/c1-8(12)10-6-2-4-9-5-3-7-13-11(9)10/h2,4,6H,3,5,7H2,1H3
InChIKeyQJTRQFYWMJKHJH-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.21
Rot. Bonds1

About 1-(3,4-dihydro-2H-chromen-8-yl)ethanone

1-(3,4-dihydro-2H-chromen-8-yl)ethanone (PubChem CID 82599043) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)ethanone
PubChem CID82599043
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)ethanone
SMILESCC(=O)c1cccc2c1OCCC2
InChIInChI=1S/C11H12O2/c1-8(12)10-6-2-4-9-5-3-7-13-11(9)10/h2,4,6H,3,5,7H2,1H3
InChIKeyQJTRQFYWMJKHJH-UHFFFAOYSA-N
XLogP2.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 114747793
(E)-1-(3,4-dihydro-2H-chromen-8-yl)pent-2-en-1-one
CID 103454118
3-amino-1-(3,4-dihydro-2H-chromen-8-yl)pentan-1-one
CID 114748089
(Z)-1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylbut-2-en-1-one
CID 103447275
2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)propan-1-one
CID 114748122
1-[4-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanone
CID 114746496
(3-bromo-5-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 115811284
1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methylphenyl)ethanone
CID 114744040
3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethylfuran-3-yl)methanone
CID 115811307
2-amino-1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-one
CID 114747981
3,4-dihydro-2H-chromen-8-yl-(2,6-dimethyl-3-pyridinyl)methanone
CID 105133622
1-(3,4-dihydro-2H-chromen-8-yl)-3-ethoxypropan-1-one
CID 105133620

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)ethanone (CID 82599043) is 1-(3,4-dihydro-2H-chromen-8-yl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)ethanone is CC(=O)c1cccc2c1OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)ethanone?
The InChIKey is QJTRQFYWMJKHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-8(12)10-6-2-4-9-5-3-7-13-11(9)10/h2,4,6H,3,5,7H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)ethanone?
1-(3,4-dihydro-2H-chromen-8-yl)ethanone has a molecular weight of 176.22 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-8-yl)ethanone is sourced from PubChem (CID 82599043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).