2-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)ethanone

C13H11ClO3 — CID 65126472

IUPAC2-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)ethanone
SMILESO=C(COCc1cccc(Cl)c1)c1ccco1
InChIInChI=1S/C13H11ClO3/c14-11-4-1-3-10(7-11)8-16-9-12(15)13-5-2-6-17-13/h1-7H,8-9H2
InChIKeyURFVSFQDULBQHX-UHFFFAOYSA-N
MW250.68 g/mol
LogP3.33
Rot. Bonds5

About 2-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)ethanone

2-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)ethanone (PubChem CID 65126472) has the molecular formula C13H11ClO3 and a molecular weight of 250.68 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)ethanone.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)ethanone
PubChem CID65126472
Molecular FormulaC13H11ClO3
Molecular Weight250.68 g/mol
Exact Mass250.04
IUPAC Name2-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)ethanone
SMILESO=C(COCc1cccc(Cl)c1)c1ccco1
InChIInChI=1S/C13H11ClO3/c14-11-4-1-3-10(7-11)8-16-9-12(15)13-5-2-6-17-13/h1-7H,8-9H2
InChIKeyURFVSFQDULBQHX-UHFFFAOYSA-N
XLogP3.33
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 53.33
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-[(3-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)ethanone
CID 65126522
2-[(3-chlorophenyl)methoxy]-1-(2-methoxyphenyl)ethanone
CID 65126569
2-[(3-chlorophenyl)methoxy]-1-(2,4-dimethylphenyl)ethanone
CID 65125946
1-(furan-2-yl)-2-(2-methylpropoxy)ethanone
CID 43798717
1-(3-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
CID 65126242
2-[(3-chlorophenyl)methoxy]-N'-hydroxyethanimidamide
CID 77056910
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
CID 7486670
2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethanone
CID 103047974
1-(2,5-dichlorophenyl)-2-phenylmethoxyethanone
CID 62030960
2-(2,5-dichlorophenyl)sulfinyl-1-(furan-2-yl)ethanone
CID 64636306

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)ethanone?
The IUPAC name of 2-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)ethanone (CID 65126472) is 2-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)ethanone.
What is the SMILES notation for 2-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)ethanone?
The canonical SMILES for 2-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)ethanone is O=C(COCc1cccc(Cl)c1)c1ccco1.
What is the InChIKey of 2-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)ethanone?
The InChIKey is URFVSFQDULBQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO3/c14-11-4-1-3-10(7-11)8-16-9-12(15)13-5-2-6-17-13/h1-7H,8-9H2.
What are the key properties of 2-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)ethanone?
2-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)ethanone has a molecular weight of 250.68 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)ethanone is sourced from PubChem (CID 65126472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).