(5S)-5-(4-chlorophenyl)-5-(iodomethyl)oxolan-2-one

C11H10ClIO2 — CID 134918786

IUPAC(5S)-5-(4-chlorophenyl)-5-(iodomethyl)oxolan-2-one
SMILESO=C1CC[C@@](CI)(c2ccc(Cl)cc2)O1
InChIInChI=1S/C11H10ClIO2/c12-9-3-1-8(2-4-9)11(7-13)6-5-10(14)15-11/h1-4H,5-7H2/t11-/m1/s1
InChIKeyKSFNNZIEACNDKB-LLVKDONJSA-N
MW336.56 g/mol
LogP3.31
Rot. Bonds2

About (5S)-5-(4-chlorophenyl)-5-(iodomethyl)oxolan-2-one

(5S)-5-(4-chlorophenyl)-5-(iodomethyl)oxolan-2-one (PubChem CID 134918786) has the molecular formula C11H10ClIO2 and a molecular weight of 336.56 g/mol. Its IUPAC name is (5S)-5-(4-chlorophenyl)-5-(iodomethyl)oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-(4-chlorophenyl)-5-(iodomethyl)oxolan-2-one
PubChem CID134918786
Molecular FormulaC11H10ClIO2
Molecular Weight336.56 g/mol
Exact Mass335.94
IUPAC Name(5S)-5-(4-chlorophenyl)-5-(iodomethyl)oxolan-2-one
SMILESO=C1CC[C@@](CI)(c2ccc(Cl)cc2)O1
InChIInChI=1S/C11H10ClIO2/c12-9-3-1-8(2-4-9)11(7-13)6-5-10(14)15-11/h1-4H,5-7H2/t11-/m1/s1
InChIKeyKSFNNZIEACNDKB-LLVKDONJSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.56
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-(4-bromophenyl)-5-(iodomethyl)oxolan-2-one
CID 44513613
(5R)-5-[(4-chlorophenyl)methyl]-5-(iodomethyl)oxolan-2-one
CID 125477000
(5S)-5-(chloromethyl)-5-phenyloxolan-2-one
CID 102486502
5-(3,4-dichlorophenyl)-5-ethyloxolan-2-one
CID 11345954
2,2-bis(4-chlorophenyl)cyclobutan-1-one
CID 11197059
(2R,3S,5R)-5-(4-chlorophenyl)-2-(hydroxymethyl)-5-(iodomethyl)oxolan-3-ol
CID 11245609
(5S)-5-(chloromethyl)-5-(2-fluorophenyl)oxolan-2-one
CID 131873383
(5R)-5-(4-methoxyphenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one
CID 122380842
[2-(4-chlorophenyl)oxiran-2-yl]methanol
CID 14329854
4-[[(2R)-5-oxo-2-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]benzonitrile
CID 166443535
2-(4-chlorophenyl)-2-(2,2,2-trichloroethyl)oxirane
CID 15096575
3-(4-chlorophenyl)-3-phenyloxolan-2-one
CID 175135173

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-chlorophenyl)-5-(iodomethyl)oxolan-2-one?
The IUPAC name of (5S)-5-(4-chlorophenyl)-5-(iodomethyl)oxolan-2-one (CID 134918786) is (5S)-5-(4-chlorophenyl)-5-(iodomethyl)oxolan-2-one.
What is the SMILES notation for (5S)-5-(4-chlorophenyl)-5-(iodomethyl)oxolan-2-one?
The canonical SMILES for (5S)-5-(4-chlorophenyl)-5-(iodomethyl)oxolan-2-one is O=C1CC[C@@](CI)(c2ccc(Cl)cc2)O1.
What is the InChIKey of (5S)-5-(4-chlorophenyl)-5-(iodomethyl)oxolan-2-one?
The InChIKey is KSFNNZIEACNDKB-LLVKDONJSA-N. The full InChI is InChI=1S/C11H10ClIO2/c12-9-3-1-8(2-4-9)11(7-13)6-5-10(14)15-11/h1-4H,5-7H2/t11-/m1/s1.
What are the key properties of (5S)-5-(4-chlorophenyl)-5-(iodomethyl)oxolan-2-one?
(5S)-5-(4-chlorophenyl)-5-(iodomethyl)oxolan-2-one has a molecular weight of 336.56 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-chlorophenyl)-5-(iodomethyl)oxolan-2-one is sourced from PubChem (CID 134918786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).