(5R)-5-(4-bromophenyl)-5-(iodomethyl)oxolan-2-one

C11H10BrIO2 — CID 44513613

IUPAC(5R)-5-(4-bromophenyl)-5-(iodomethyl)oxolan-2-one
SMILESO=C1CC[C@](CI)(c2ccc(Br)cc2)O1
InChIInChI=1S/C11H10BrIO2/c12-9-3-1-8(2-4-9)11(7-13)6-5-10(14)15-11/h1-4H,5-7H2/t11-/m0/s1
InChIKeyPUMILVUIVNWTDP-NSHDSACASA-N
MW381.01 g/mol
LogP3.42
Rot. Bonds2

About (5R)-5-(4-bromophenyl)-5-(iodomethyl)oxolan-2-one

(5R)-5-(4-bromophenyl)-5-(iodomethyl)oxolan-2-one (PubChem CID 44513613) has the molecular formula C11H10BrIO2 and a molecular weight of 381.01 g/mol. Its IUPAC name is (5R)-5-(4-bromophenyl)-5-(iodomethyl)oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-(4-bromophenyl)-5-(iodomethyl)oxolan-2-one
PubChem CID44513613
Molecular FormulaC11H10BrIO2
Molecular Weight381.01 g/mol
Exact Mass379.89
IUPAC Name(5R)-5-(4-bromophenyl)-5-(iodomethyl)oxolan-2-one
SMILESO=C1CC[C@](CI)(c2ccc(Br)cc2)O1
InChIInChI=1S/C11H10BrIO2/c12-9-3-1-8(2-4-9)11(7-13)6-5-10(14)15-11/h1-4H,5-7H2/t11-/m0/s1
InChIKeyPUMILVUIVNWTDP-NSHDSACASA-N
XLogP3.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.01
LogP ≤ 53.42
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

(5S)-5-(4-chlorophenyl)-5-(iodomethyl)oxolan-2-one
CID 134918786
(6R)-6-(4-fluorophenyl)-6-(iodomethyl)oxan-2-one
CID 57407556
(6R)-6-(iodomethyl)-6-[4-(trifluoromethyl)phenyl]oxan-2-one
CID 102487590
(5S)-5-(chloromethyl)-5-phenyloxolan-2-one
CID 102486502
(5R)-5-(4-methoxyphenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one
CID 122380842
5-(3,4-dichlorophenyl)-5-ethyloxolan-2-one
CID 11345954
(6S)-6-(bromomethyl)-6-(4-methoxyphenyl)oxan-2-one
CID 102342730
(5R)-5-(bromomethyl)-5-naphthalen-1-yloxolan-2-one
CID 139247618
4-[[(2R)-5-oxo-2-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]benzonitrile
CID 166443535
(5R)-5-[(4-chlorophenyl)methyl]-5-(iodomethyl)oxolan-2-one
CID 125477000
(5S)-5-(chloromethyl)-5-(2-fluorophenyl)oxolan-2-one
CID 131873383
5-[[ethoxy(phenyl)phosphoryl]methyl]-5-phenyloxolan-2-one
CID 135063939

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-bromophenyl)-5-(iodomethyl)oxolan-2-one?
The IUPAC name of (5R)-5-(4-bromophenyl)-5-(iodomethyl)oxolan-2-one (CID 44513613) is (5R)-5-(4-bromophenyl)-5-(iodomethyl)oxolan-2-one.
What is the SMILES notation for (5R)-5-(4-bromophenyl)-5-(iodomethyl)oxolan-2-one?
The canonical SMILES for (5R)-5-(4-bromophenyl)-5-(iodomethyl)oxolan-2-one is O=C1CC[C@](CI)(c2ccc(Br)cc2)O1.
What is the InChIKey of (5R)-5-(4-bromophenyl)-5-(iodomethyl)oxolan-2-one?
The InChIKey is PUMILVUIVNWTDP-NSHDSACASA-N. The full InChI is InChI=1S/C11H10BrIO2/c12-9-3-1-8(2-4-9)11(7-13)6-5-10(14)15-11/h1-4H,5-7H2/t11-/m0/s1.
What are the key properties of (5R)-5-(4-bromophenyl)-5-(iodomethyl)oxolan-2-one?
(5R)-5-(4-bromophenyl)-5-(iodomethyl)oxolan-2-one has a molecular weight of 381.01 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-bromophenyl)-5-(iodomethyl)oxolan-2-one is sourced from PubChem (CID 44513613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).