furan-2-ylmethyl 4-(4-chlorophenyl)-4-oxobutanoate

C15H13ClO4 — CID 174830614

IUPACfuran-2-ylmethyl 4-(4-chlorophenyl)-4-oxobutanoate
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)OCc1ccco1
InChIInChI=1S/C15H13ClO4/c16-12-5-3-11(4-6-12)14(17)7-8-15(18)20-10-13-2-1-9-19-13/h1-6,9H,7-8,10H2
InChIKeySULDGLNGJSWVRO-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.64
Rot. Bonds6

About furan-2-ylmethyl 4-(4-chlorophenyl)-4-oxobutanoate

furan-2-ylmethyl 4-(4-chlorophenyl)-4-oxobutanoate (PubChem CID 174830614) has the molecular formula C15H13ClO4 and a molecular weight of 292.72 g/mol. Its IUPAC name is furan-2-ylmethyl 4-(4-chlorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Namefuran-2-ylmethyl 4-(4-chlorophenyl)-4-oxobutanoate
PubChem CID174830614
Molecular FormulaC15H13ClO4
Molecular Weight292.72 g/mol
Exact Mass292.05
IUPAC Namefuran-2-ylmethyl 4-(4-chlorophenyl)-4-oxobutanoate
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)OCc1ccco1
InChIInChI=1S/C15H13ClO4/c16-12-5-3-11(4-6-12)14(17)7-8-15(18)20-10-13-2-1-9-19-13/h1-6,9H,7-8,10H2
InChIKeySULDGLNGJSWVRO-UHFFFAOYSA-N
XLogP3.64
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-ylmethyl 5-hydroxy-4-oxopentanoate
CID 174653423
4-O-[3-[4-(furan-2-ylmethoxy)-4-oxobutanoyl]oxy-2,2-bis[[4-(furan-2-ylmethoxy)-4-oxobutanoyl]oxymethyl]propyl] 1-O-(furan-2-ylmethyl) butanedioate
CID 101447383
1-(4-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 62619027
1-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone
CID 43412900
furan-2-ylmethyl 4-sulfanylbutanoate
CID 89395798
furan-2-ylmethyl 2-methoxyacetate
CID 134852986
furan-2-ylmethyl 2-(methylamino)acetate
CID 70320956
[2-(4-chlorophenyl)-2-oxoethyl] 4-(4-methoxyphenyl)-4-oxobutanoate
CID 2287702
furan-2-ylmethyl 4-(methoxycarbonylamino)butanoate
CID 164839099
(4-chlorophenyl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate
CID 42967085
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2346729
furan-2-ylmethyl 2-acetylsulfanylacetate
CID 139696753

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl 4-(4-chlorophenyl)-4-oxobutanoate?
The IUPAC name of furan-2-ylmethyl 4-(4-chlorophenyl)-4-oxobutanoate (CID 174830614) is furan-2-ylmethyl 4-(4-chlorophenyl)-4-oxobutanoate.
What is the SMILES notation for furan-2-ylmethyl 4-(4-chlorophenyl)-4-oxobutanoate?
The canonical SMILES for furan-2-ylmethyl 4-(4-chlorophenyl)-4-oxobutanoate is O=C(CCC(=O)c1ccc(Cl)cc1)OCc1ccco1.
What is the InChIKey of furan-2-ylmethyl 4-(4-chlorophenyl)-4-oxobutanoate?
The InChIKey is SULDGLNGJSWVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO4/c16-12-5-3-11(4-6-12)14(17)7-8-15(18)20-10-13-2-1-9-19-13/h1-6,9H,7-8,10H2.
What are the key properties of furan-2-ylmethyl 4-(4-chlorophenyl)-4-oxobutanoate?
furan-2-ylmethyl 4-(4-chlorophenyl)-4-oxobutanoate has a molecular weight of 292.72 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl 4-(4-chlorophenyl)-4-oxobutanoate is sourced from PubChem (CID 174830614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).