2-(3-chlorophenoxy)-1-(furan-2-yl)propan-1-one

C13H11ClO3 — CID 105099319

IUPAC2-(3-chlorophenoxy)-1-(furan-2-yl)propan-1-one
SMILESCC(Oc1cccc(Cl)c1)C(=O)c1ccco1
InChIInChI=1S/C13H11ClO3/c1-9(13(15)12-6-3-7-16-12)17-11-5-2-4-10(14)8-11/h2-9H,1H3
InChIKeyHBYCWKPTUQXDTC-UHFFFAOYSA-N
MW250.68 g/mol
LogP3.58
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-(furan-2-yl)propan-1-one

2-(3-chlorophenoxy)-1-(furan-2-yl)propan-1-one (PubChem CID 105099319) has the molecular formula C13H11ClO3 and a molecular weight of 250.68 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(furan-2-yl)propan-1-one
PubChem CID105099319
Molecular FormulaC13H11ClO3
Molecular Weight250.68 g/mol
Exact Mass250.04
IUPAC Name2-(3-chlorophenoxy)-1-(furan-2-yl)propan-1-one
SMILESCC(Oc1cccc(Cl)c1)C(=O)c1ccco1
InChIInChI=1S/C13H11ClO3/c1-9(13(15)12-6-3-7-16-12)17-11-5-2-4-10(14)8-11/h2-9H,1H3
InChIKeyHBYCWKPTUQXDTC-UHFFFAOYSA-N
XLogP3.58
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(3-chlorophenoxy)butan-2-one
CID 1489403
2-(3-chlorophenoxy)-1-(5-methylthiophen-2-yl)propan-1-one
CID 105111629
2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-one
CID 105113491
4-(3-chlorophenoxy)-2-methylpent-1-en-3-one
CID 105113093
2-(3-chlorophenoxy)propanehydrazide
CID 2832641
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
(2S)-2-(3-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide
CID 38462113
(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
CID 40538344
1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione
CID 15262340
2-(3-chlorophenoxy)-1-(cyclohexen-1-yl)propan-1-one
CID 106656092
2-(3-chlorophenoxy)-1-(2-fluoro-3-methoxyphenyl)propan-1-one
CID 105123701
(2R)-2-(3-chlorophenoxy)-N,N-bis(2-methylpropyl)propanamide
CID 897565

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(furan-2-yl)propan-1-one?
The IUPAC name of 2-(3-chlorophenoxy)-1-(furan-2-yl)propan-1-one (CID 105099319) is 2-(3-chlorophenoxy)-1-(furan-2-yl)propan-1-one.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(furan-2-yl)propan-1-one?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(furan-2-yl)propan-1-one is CC(Oc1cccc(Cl)c1)C(=O)c1ccco1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(furan-2-yl)propan-1-one?
The InChIKey is HBYCWKPTUQXDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO3/c1-9(13(15)12-6-3-7-16-12)17-11-5-2-4-10(14)8-11/h2-9H,1H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(furan-2-yl)propan-1-one?
2-(3-chlorophenoxy)-1-(furan-2-yl)propan-1-one has a molecular weight of 250.68 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(furan-2-yl)propan-1-one is sourced from PubChem (CID 105099319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).