1-(furan-2-yl)-2-(2-methylpropoxy)ethanone

C10H14O3 — CID 43798717

IUPAC1-(furan-2-yl)-2-(2-methylpropoxy)ethanone
SMILESCC(C)COCC(=O)c1ccco1
InChIInChI=1S/C10H14O3/c1-8(2)6-12-7-9(11)10-4-3-5-13-10/h3-5,8H,6-7H2,1-2H3
InChIKeyPKTKHPSKGPWAMO-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.13
Rot. Bonds5

About 1-(furan-2-yl)-2-(2-methylpropoxy)ethanone

1-(furan-2-yl)-2-(2-methylpropoxy)ethanone (PubChem CID 43798717) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-(2-methylpropoxy)ethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-(2-methylpropoxy)ethanone
PubChem CID43798717
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name1-(furan-2-yl)-2-(2-methylpropoxy)ethanone
SMILESCC(C)COCC(=O)c1ccco1
InChIInChI=1S/C10H14O3/c1-8(2)6-12-7-9(11)10-4-3-5-13-10/h3-5,8H,6-7H2,1-2H3
InChIKeyPKTKHPSKGPWAMO-UHFFFAOYSA-N
XLogP2.13
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-2-(furan-2-ylmethoxy)ethanone
CID 62029441
[2-(furan-2-yl)-2-oxoethyl] methanesulfonate
CID 14292729
1-(furan-2-yl)-4-methylpentane-1,3-dione
CID 62875308
1-(furan-2-yl)-2-(4-methylphenoxy)ethanone
CID 43413085
2-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)ethanone
CID 65126472
N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51339268
[2-(2-methylpropoxycarbonyloxy)phenyl] furan-2-carboxylate
CID 91700704
1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione
CID 15262340
1-(furan-2-yl)-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethanone
CID 55004845
ethane;1-(furan-2-yl)butane-1,3-dione
CID 145463409
1-(4-iodophenyl)-2-(2-methylpropoxy)ethanone
CID 43798719
1-(furan-2-yl)-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 60623751

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-(2-methylpropoxy)ethanone?
The IUPAC name of 1-(furan-2-yl)-2-(2-methylpropoxy)ethanone (CID 43798717) is 1-(furan-2-yl)-2-(2-methylpropoxy)ethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-(2-methylpropoxy)ethanone?
The canonical SMILES for 1-(furan-2-yl)-2-(2-methylpropoxy)ethanone is CC(C)COCC(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-(2-methylpropoxy)ethanone?
The InChIKey is PKTKHPSKGPWAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-8(2)6-12-7-9(11)10-4-3-5-13-10/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-2-(2-methylpropoxy)ethanone?
1-(furan-2-yl)-2-(2-methylpropoxy)ethanone has a molecular weight of 182.22 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-(2-methylpropoxy)ethanone is sourced from PubChem (CID 43798717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).