[(1S)-1,2-bis(furan-2-yl)-2-oxoethyl] 4-chlorobenzoate

C17H11ClO5 — CID 28923982

IUPAC[(1S)-1,2-bis(furan-2-yl)-2-oxoethyl] 4-chlorobenzoate
SMILESO=C(O[C@H](C(=O)c1ccco1)c1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C17H11ClO5/c18-12-7-5-11(6-8-12)17(20)23-16(14-4-2-10-22-14)15(19)13-3-1-9-21-13/h1-10,16H/t16-/m0/s1
InChIKeyMZJNSUYYSMLRLA-INIZCTEOSA-N
MW330.72 g/mol
LogP4.31
Rot. Bonds5

About [(1S)-1,2-bis(furan-2-yl)-2-oxoethyl] 4-chlorobenzoate

[(1S)-1,2-bis(furan-2-yl)-2-oxoethyl] 4-chlorobenzoate (PubChem CID 28923982) has the molecular formula C17H11ClO5 and a molecular weight of 330.72 g/mol. Its IUPAC name is [(1S)-1,2-bis(furan-2-yl)-2-oxoethyl] 4-chlorobenzoate.

Molecular Properties

Compound Name[(1S)-1,2-bis(furan-2-yl)-2-oxoethyl] 4-chlorobenzoate
PubChem CID28923982
Molecular FormulaC17H11ClO5
Molecular Weight330.72 g/mol
Exact Mass330.03
IUPAC Name[(1S)-1,2-bis(furan-2-yl)-2-oxoethyl] 4-chlorobenzoate
SMILESO=C(O[C@H](C(=O)c1ccco1)c1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C17H11ClO5/c18-12-7-5-11(6-8-12)17(20)23-16(14-4-2-10-22-14)15(19)13-3-1-9-21-13/h1-10,16H/t16-/m0/s1
InChIKeyMZJNSUYYSMLRLA-INIZCTEOSA-N
XLogP4.31
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.72
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1,2-bis(furan-2-yl)-2-oxoethyl] 4-nitrobenzoate
CID 71473178
(2S,3S)-2,3-bis[(4-chlorobenzoyl)oxy]-4-[2-(furan-2-carbonyl)hydrazinyl]-4-oxobutanoic acid
CID 126387378
[[amino-(4-chlorophenyl)methylidene]amino] furan-2-carboxylate
CID 2276422
[1,2-bis(4-chlorophenyl)-2-oxoethyl] 4-chlorobenzoate
CID 11362139
[(1S)-2-oxo-1,2-diphenylethyl] 4-chlorobenzoate
CID 2360889
[(1R)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
CID 1470080
1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione
CID 121014452
[bis[(4-chlorobenzoyl)oxy]methoxy-(4-chlorobenzoyl)oxymethyl] 4-chlorobenzoate
CID 146494079
[4-[(4-chlorobenzoyl)amino]phenyl] furan-2-carboxylate
CID 26190079
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
(2R,3S)-2,3-bis[(4-chlorobenzoyl)oxy]-4-(furan-2-ylmethylamino)-4-oxobutanoic acid
CID 126392831
[[1-amino-2-(4-chlorophenyl)ethylidene]amino] furan-2-carboxylate
CID 2276392

Frequently Asked Questions

What is the IUPAC name of [(1S)-1,2-bis(furan-2-yl)-2-oxoethyl] 4-chlorobenzoate?
The IUPAC name of [(1S)-1,2-bis(furan-2-yl)-2-oxoethyl] 4-chlorobenzoate (CID 28923982) is [(1S)-1,2-bis(furan-2-yl)-2-oxoethyl] 4-chlorobenzoate.
What is the SMILES notation for [(1S)-1,2-bis(furan-2-yl)-2-oxoethyl] 4-chlorobenzoate?
The canonical SMILES for [(1S)-1,2-bis(furan-2-yl)-2-oxoethyl] 4-chlorobenzoate is O=C(O[C@H](C(=O)c1ccco1)c1ccco1)c1ccc(Cl)cc1.
What is the InChIKey of [(1S)-1,2-bis(furan-2-yl)-2-oxoethyl] 4-chlorobenzoate?
The InChIKey is MZJNSUYYSMLRLA-INIZCTEOSA-N. The full InChI is InChI=1S/C17H11ClO5/c18-12-7-5-11(6-8-12)17(20)23-16(14-4-2-10-22-14)15(19)13-3-1-9-21-13/h1-10,16H/t16-/m0/s1.
What are the key properties of [(1S)-1,2-bis(furan-2-yl)-2-oxoethyl] 4-chlorobenzoate?
[(1S)-1,2-bis(furan-2-yl)-2-oxoethyl] 4-chlorobenzoate has a molecular weight of 330.72 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1,2-bis(furan-2-yl)-2-oxoethyl] 4-chlorobenzoate is sourced from PubChem (CID 28923982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).