(5R)-5-[(4-chlorophenyl)methyl]-5-(iodomethyl)oxolan-2-one

C12H12ClIO2 — CID 125477000

IUPAC(5R)-5-[(4-chlorophenyl)methyl]-5-(iodomethyl)oxolan-2-one
SMILESO=C1CC[C@](CI)(Cc2ccc(Cl)cc2)O1
InChIInChI=1S/C12H12ClIO2/c13-10-3-1-9(2-4-10)7-12(8-14)6-5-11(15)16-12/h1-4H,5-8H2/t12-/m1/s1
InChIKeySMSFUZOLVFGTDI-GFCCVEGCSA-N
MW350.58 g/mol
LogP3.39
Rot. Bonds3

About (5R)-5-[(4-chlorophenyl)methyl]-5-(iodomethyl)oxolan-2-one

(5R)-5-[(4-chlorophenyl)methyl]-5-(iodomethyl)oxolan-2-one (PubChem CID 125477000) has the molecular formula C12H12ClIO2 and a molecular weight of 350.58 g/mol. Its IUPAC name is (5R)-5-[(4-chlorophenyl)methyl]-5-(iodomethyl)oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(4-chlorophenyl)methyl]-5-(iodomethyl)oxolan-2-one
PubChem CID125477000
Molecular FormulaC12H12ClIO2
Molecular Weight350.58 g/mol
Exact Mass349.96
IUPAC Name(5R)-5-[(4-chlorophenyl)methyl]-5-(iodomethyl)oxolan-2-one
SMILESO=C1CC[C@](CI)(Cc2ccc(Cl)cc2)O1
InChIInChI=1S/C12H12ClIO2/c13-10-3-1-9(2-4-10)7-12(8-14)6-5-11(15)16-12/h1-4H,5-8H2/t12-/m1/s1
InChIKeySMSFUZOLVFGTDI-GFCCVEGCSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.58
LogP ≤ 53.39
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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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4-chlorophenyl)methyl]-5-(iodomethyl)oxolan-2-one?
The IUPAC name of (5R)-5-[(4-chlorophenyl)methyl]-5-(iodomethyl)oxolan-2-one (CID 125477000) is (5R)-5-[(4-chlorophenyl)methyl]-5-(iodomethyl)oxolan-2-one.
What is the SMILES notation for (5R)-5-[(4-chlorophenyl)methyl]-5-(iodomethyl)oxolan-2-one?
The canonical SMILES for (5R)-5-[(4-chlorophenyl)methyl]-5-(iodomethyl)oxolan-2-one is O=C1CC[C@](CI)(Cc2ccc(Cl)cc2)O1.
What is the InChIKey of (5R)-5-[(4-chlorophenyl)methyl]-5-(iodomethyl)oxolan-2-one?
The InChIKey is SMSFUZOLVFGTDI-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H12ClIO2/c13-10-3-1-9(2-4-10)7-12(8-14)6-5-11(15)16-12/h1-4H,5-8H2/t12-/m1/s1.
What are the key properties of (5R)-5-[(4-chlorophenyl)methyl]-5-(iodomethyl)oxolan-2-one?
(5R)-5-[(4-chlorophenyl)methyl]-5-(iodomethyl)oxolan-2-one has a molecular weight of 350.58 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(4-chlorophenyl)methyl]-5-(iodomethyl)oxolan-2-one is sourced from PubChem (CID 125477000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).