(2R)-2-(4-chlorophenoxy)-4-methyl-2H-furan-5-one

C11H9ClO3 — CID 129390380

IUPAC(2R)-2-(4-chlorophenoxy)-4-methyl-2H-furan-5-one
SMILESCC1=C[C@H](Oc2ccc(Cl)cc2)OC1=O
InChIInChI=1S/C11H9ClO3/c1-7-6-10(15-11(7)13)14-9-4-2-8(12)3-5-9/h2-6,10H,1H3/t10-/m1/s1
InChIKeyKADGZWRLAWGNRI-SNVBAGLBSA-N
MW224.64 g/mol
LogP2.55
Rot. Bonds2

About (2R)-2-(4-chlorophenoxy)-4-methyl-2H-furan-5-one

(2R)-2-(4-chlorophenoxy)-4-methyl-2H-furan-5-one (PubChem CID 129390380) has the molecular formula C11H9ClO3 and a molecular weight of 224.64 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenoxy)-4-methyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenoxy)-4-methyl-2H-furan-5-one
PubChem CID129390380
Molecular FormulaC11H9ClO3
Molecular Weight224.64 g/mol
Exact Mass224.02
IUPAC Name(2R)-2-(4-chlorophenoxy)-4-methyl-2H-furan-5-one
SMILESCC1=C[C@H](Oc2ccc(Cl)cc2)OC1=O
InChIInChI=1S/C11H9ClO3/c1-7-6-10(15-11(7)13)14-9-4-2-8(12)3-5-9/h2-6,10H,1H3/t10-/m1/s1
InChIKeyKADGZWRLAWGNRI-SNVBAGLBSA-N
XLogP2.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.64
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-4-methyl-2H-furan-5-one
CID 132538545
2-(3-hydroxyphenoxy)-4-methyl-2H-furan-5-one
CID 158278941
4-(4-chlorophenoxy)cyclohexan-1-one
CID 58923771
4-(4-chlorophenoxy)azetidin-2-one
CID 57320787
(4-methyl-5-oxo-2H-furan-2-yl) N-benzylcarbamate
CID 67449986
(2S)-2-[(1R)-1-(4-chlorophenyl)-1-(diphenylphosphorylamino)ethyl]-4-methyl-2H-furan-5-one
CID 102494360
4-(4-chlorophenyl)-2-methyl-2H-furan-5-one
CID 506537
4-hydroxy-5,8-dimethyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-4,8b-dihydro-3aH-indeno[1,2-b]furan-2-one
CID 162947536
(2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane
CID 101333877
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
(3R)-3-[(4-chlorophenoxy)methyl]-3H-2-benzofuran-1-one
CID 42629986
ethyl 2-[3-(4-chlorophenoxy)-4-oxocyclohexyl]acetate
CID 54106464

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenoxy)-4-methyl-2H-furan-5-one?
The IUPAC name of (2R)-2-(4-chlorophenoxy)-4-methyl-2H-furan-5-one (CID 129390380) is (2R)-2-(4-chlorophenoxy)-4-methyl-2H-furan-5-one.
What is the SMILES notation for (2R)-2-(4-chlorophenoxy)-4-methyl-2H-furan-5-one?
The canonical SMILES for (2R)-2-(4-chlorophenoxy)-4-methyl-2H-furan-5-one is CC1=C[C@H](Oc2ccc(Cl)cc2)OC1=O.
What is the InChIKey of (2R)-2-(4-chlorophenoxy)-4-methyl-2H-furan-5-one?
The InChIKey is KADGZWRLAWGNRI-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H9ClO3/c1-7-6-10(15-11(7)13)14-9-4-2-8(12)3-5-9/h2-6,10H,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenoxy)-4-methyl-2H-furan-5-one?
(2R)-2-(4-chlorophenoxy)-4-methyl-2H-furan-5-one has a molecular weight of 224.64 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenoxy)-4-methyl-2H-furan-5-one is sourced from PubChem (CID 129390380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).