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

C14H18O3 — CID 105133620

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-3-ethoxypropan-1-one
SMILESCCOCCC(=O)c1cccc2c1OCCC2
InChIInChI=1S/C14H18O3/c1-2-16-10-8-13(15)12-7-3-5-11-6-4-9-17-14(11)12/h3,5,7H,2,4,6,8-10H2,1H3
InChIKeyDRHQIDCCJZUACK-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.62
Rot. Bonds5

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

1-(3,4-dihydro-2H-chromen-8-yl)-3-ethoxypropan-1-one (PubChem CID 105133620) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-3-ethoxypropan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-3-ethoxypropan-1-one
PubChem CID105133620
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-3-ethoxypropan-1-one
SMILESCCOCCC(=O)c1cccc2c1OCCC2
InChIInChI=1S/C14H18O3/c1-2-16-10-8-13(15)12-7-3-5-11-6-4-9-17-14(11)12/h3,5,7H,2,4,6,8-10H2,1H3
InChIKeyDRHQIDCCJZUACK-UHFFFAOYSA-N
XLogP2.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(3,4-dihydro-2H-chromen-8-yl)-3-ethoxypropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)-3-propoxypropan-1-one
CID 105135051
1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
3-amino-1-(3,4-dihydro-2H-chromen-8-yl)pentan-1-one
CID 114748089
1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methylphenyl)ethanone
CID 114744040
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
1-(2,3-dihydro-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-one
CID 114744273
(Z)-1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylbut-2-en-1-one
CID 103447275
1-(3,4-dihydro-2H-chromen-8-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 114747898
1-(3,4-dihydro-2H-chromen-8-yl)-2-(prop-2-ynylamino)ethanone
CID 114747975
2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 114747936
2-amino-1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-one
CID 114747981

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-3-ethoxypropan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-3-ethoxypropan-1-one (CID 105133620) is 1-(3,4-dihydro-2H-chromen-8-yl)-3-ethoxypropan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-3-ethoxypropan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-3-ethoxypropan-1-one is CCOCCC(=O)c1cccc2c1OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-3-ethoxypropan-1-one?
The InChIKey is DRHQIDCCJZUACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-2-16-10-8-13(15)12-7-3-5-11-6-4-9-17-14(11)12/h3,5,7H,2,4,6,8-10H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-3-ethoxypropan-1-one?
1-(3,4-dihydro-2H-chromen-8-yl)-3-ethoxypropan-1-one has a molecular weight of 234.29 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-8-yl)-3-ethoxypropan-1-one is sourced from PubChem (CID 105133620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).