[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 5-methylfuran-2-carboxylate

C15H13ClO4 — CID 42034256

IUPAC[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 5-methylfuran-2-carboxylate
SMILESCc1ccc(C(=O)O[C@H](C)C(=O)c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H13ClO4/c1-9-3-8-13(19-9)15(18)20-10(2)14(17)11-4-6-12(16)7-5-11/h3-8,10H,1-2H3/t10-/m1/s1
InChIKeySBGITNJTYSVSPK-SNVBAGLBSA-N
MW292.72 g/mol
LogP3.67
Rot. Bonds4

About [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 5-methylfuran-2-carboxylate

[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 5-methylfuran-2-carboxylate (PubChem CID 42034256) has the molecular formula C15H13ClO4 and a molecular weight of 292.72 g/mol. Its IUPAC name is [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 5-methylfuran-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 5-methylfuran-2-carboxylate
PubChem CID42034256
Molecular FormulaC15H13ClO4
Molecular Weight292.72 g/mol
Exact Mass292.05
IUPAC Name[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 5-methylfuran-2-carboxylate
SMILESCc1ccc(C(=O)O[C@H](C)C(=O)c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H13ClO4/c1-9-3-8-13(19-9)15(18)20-10(2)14(17)11-4-6-12(16)7-5-11/h3-8,10H,1-2H3/t10-/m1/s1
InChIKeySBGITNJTYSVSPK-SNVBAGLBSA-N
XLogP3.67
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 5-methylfuran-2-carboxylate
CID 42034197
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate
CID 7419213
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 5-(4-nitrophenyl)furan-2-carboxylate
CID 7355757
propan-2-yl 5-methylfuran-2-carboxylate
CID 60643123
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 5-methylfuran-2-carboxylate
CID 46794035
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 4-bromobenzoate
CID 7889661
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,3,6-trichlorobenzoate
CID 7170397
[1-(4-methylphenyl)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 4024551
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
CID 7239266
[1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 16560185
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7833900
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-bromobenzoate
CID 7476787

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 5-methylfuran-2-carboxylate?
The IUPAC name of [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 5-methylfuran-2-carboxylate (CID 42034256) is [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 5-methylfuran-2-carboxylate.
What is the SMILES notation for [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 5-methylfuran-2-carboxylate?
The canonical SMILES for [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 5-methylfuran-2-carboxylate is Cc1ccc(C(=O)O[C@H](C)C(=O)c2ccc(Cl)cc2)o1.
What is the InChIKey of [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 5-methylfuran-2-carboxylate?
The InChIKey is SBGITNJTYSVSPK-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H13ClO4/c1-9-3-8-13(19-9)15(18)20-10(2)14(17)11-4-6-12(16)7-5-11/h3-8,10H,1-2H3/t10-/m1/s1.
What are the key properties of [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 5-methylfuran-2-carboxylate?
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 5-methylfuran-2-carboxylate has a molecular weight of 292.72 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 5-methylfuran-2-carboxylate is sourced from PubChem (CID 42034256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).