1-(furan-2-yl)-2-(4-methylphenoxy)ethanone

C13H12O3 — CID 43413085

IUPAC1-(furan-2-yl)-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)c2ccco2)cc1
InChIInChI=1S/C13H12O3/c1-10-4-6-11(7-5-10)16-9-12(14)13-3-2-8-15-13/h2-8H,9H2,1H3
InChIKeyYPYZXGRXBNBAAJ-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.85
Rot. Bonds4

About 1-(furan-2-yl)-2-(4-methylphenoxy)ethanone

1-(furan-2-yl)-2-(4-methylphenoxy)ethanone (PubChem CID 43413085) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-(4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-(4-methylphenoxy)ethanone
PubChem CID43413085
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name1-(furan-2-yl)-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)c2ccco2)cc1
InChIInChI=1S/C13H12O3/c1-10-4-6-11(7-5-10)16-9-12(14)13-3-2-8-15-13/h2-8H,9H2,1H3
InChIKeyYPYZXGRXBNBAAJ-UHFFFAOYSA-N
XLogP2.85
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 60623751
4-[2-(furan-2-yl)-2-oxoethoxy]benzamide
CID 60624189
2-[4-[2-(furan-2-yl)-2-oxoethoxy]phenyl]acetonitrile
CID 60624197
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(furan-2-yl)ethanone
CID 43411851
3-[2-(furan-2-yl)-2-oxoethoxy]-4-methylbenzonitrile
CID 107659316
N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide
CID 968398
2-(4-bromo-2-methylphenoxy)-1-(furan-2-yl)ethanone
CID 55026653
N-[2-(furan-2-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110733528
1-(furan-2-yl)-2-(2-methylpropoxy)ethanone
CID 43798717
[2-(furan-2-yl)-2-oxoethyl] methanesulfonate
CID 14292729
2-[4-(furan-2-carbonyl)phenoxy]acetic acid
CID 82086021
N-[2-chloro-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 23798450

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-(4-methylphenoxy)ethanone?
The IUPAC name of 1-(furan-2-yl)-2-(4-methylphenoxy)ethanone (CID 43413085) is 1-(furan-2-yl)-2-(4-methylphenoxy)ethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-(4-methylphenoxy)ethanone?
The canonical SMILES for 1-(furan-2-yl)-2-(4-methylphenoxy)ethanone is Cc1ccc(OCC(=O)c2ccco2)cc1.
What is the InChIKey of 1-(furan-2-yl)-2-(4-methylphenoxy)ethanone?
The InChIKey is YPYZXGRXBNBAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-10-4-6-11(7-5-10)16-9-12(14)13-3-2-8-15-13/h2-8H,9H2,1H3.
What are the key properties of 1-(furan-2-yl)-2-(4-methylphenoxy)ethanone?
1-(furan-2-yl)-2-(4-methylphenoxy)ethanone has a molecular weight of 216.24 g/mol, XLogP of 2.85, 4 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-(4-methylphenoxy)ethanone is sourced from PubChem (CID 43413085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).