1-(furan-3-yl)-3-propoxypropan-1-one

C10H14O3 — CID 105099129

IUPAC1-(furan-3-yl)-3-propoxypropan-1-one
SMILESCCCOCCC(=O)c1ccoc1
InChIInChI=1S/C10H14O3/c1-2-5-12-7-4-10(11)9-3-6-13-8-9/h3,6,8H,2,4-5,7H2,1H3
InChIKeyNXPMSJBSKWDELQ-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.28
Rot. Bonds6

About 1-(furan-3-yl)-3-propoxypropan-1-one

1-(furan-3-yl)-3-propoxypropan-1-one (PubChem CID 105099129) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(furan-3-yl)-3-propoxypropan-1-one.

Molecular Properties

Compound Name1-(furan-3-yl)-3-propoxypropan-1-one
PubChem CID105099129
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name1-(furan-3-yl)-3-propoxypropan-1-one
SMILESCCCOCCC(=O)c1ccoc1
InChIInChI=1S/C10H14O3/c1-2-5-12-7-4-10(11)9-3-6-13-8-9/h3,6,8H,2,4-5,7H2,1H3
InChIKeyNXPMSJBSKWDELQ-UHFFFAOYSA-N
XLogP2.28
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylphenyl)-3-propoxypropan-1-one
CID 105085935
1-(3-bromofuran-2-yl)-3-propoxypropan-1-one
CID 105101655
1-(1-methylpyrazol-4-yl)-3-propoxypropan-1-one
CID 105082295
1-(furan-3-yl)-3-(4-methoxyphenyl)propan-1-one
CID 65444925
1-(furan-3-yl)-3,3-dimethoxypropan-1-one
CID 115480787
1-(furan-3-yl)-2-(4-methoxyphenyl)ethanone
CID 61055091
1-(furan-3-yl)-2-methylsulfonylethanone
CID 115622052
1-(2-fluorophenyl)-3-propoxypropan-1-one
CID 105085598
3-heptoxy-1-phenylpropan-1-one
CID 116692052
3-ethoxy-1-(4-propoxyphenyl)propan-1-one
CID 105096969
3-butoxy-1-(4-methoxyphenyl)propan-1-one
CID 115002247
3-cyclohexyl-1-(furan-3-yl)propan-1-one
CID 114971693

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-3-propoxypropan-1-one?
The IUPAC name of 1-(furan-3-yl)-3-propoxypropan-1-one (CID 105099129) is 1-(furan-3-yl)-3-propoxypropan-1-one.
What is the SMILES notation for 1-(furan-3-yl)-3-propoxypropan-1-one?
The canonical SMILES for 1-(furan-3-yl)-3-propoxypropan-1-one is CCCOCCC(=O)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-3-propoxypropan-1-one?
The InChIKey is NXPMSJBSKWDELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-5-12-7-4-10(11)9-3-6-13-8-9/h3,6,8H,2,4-5,7H2,1H3.
What are the key properties of 1-(furan-3-yl)-3-propoxypropan-1-one?
1-(furan-3-yl)-3-propoxypropan-1-one has a molecular weight of 182.22 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-3-propoxypropan-1-one is sourced from PubChem (CID 105099129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).