(5S)-5-(chloromethyl)-5-phenyloxolan-2-one

C11H11ClO2 — CID 102486502

IUPAC(5S)-5-(chloromethyl)-5-phenyloxolan-2-one
SMILESO=C1CC[C@@](CCl)(c2ccccc2)O1
InChIInChI=1S/C11H11ClO2/c12-8-11(7-6-10(13)14-11)9-4-2-1-3-5-9/h1-5H,6-8H2/t11-/m1/s1
InChIKeyOGVBUEVXVHHWQT-LLVKDONJSA-N
MW210.66 g/mol
LogP2.46
Rot. Bonds2

About (5S)-5-(chloromethyl)-5-phenyloxolan-2-one

(5S)-5-(chloromethyl)-5-phenyloxolan-2-one (PubChem CID 102486502) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is (5S)-5-(chloromethyl)-5-phenyloxolan-2-one.

Molecular Properties

Compound Name(5S)-5-(chloromethyl)-5-phenyloxolan-2-one
PubChem CID102486502
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name(5S)-5-(chloromethyl)-5-phenyloxolan-2-one
SMILESO=C1CC[C@@](CCl)(c2ccccc2)O1
InChIInChI=1S/C11H11ClO2/c12-8-11(7-6-10(13)14-11)9-4-2-1-3-5-9/h1-5H,6-8H2/t11-/m1/s1
InChIKeyOGVBUEVXVHHWQT-LLVKDONJSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(chloromethyl)-5-(2-fluorophenyl)oxolan-2-one
CID 131873383
(5S)-5-(4-chlorophenyl)-5-(iodomethyl)oxolan-2-one
CID 134918786
5-[[ethoxy(phenyl)phosphoryl]methyl]-5-phenyloxolan-2-one
CID 135063939
6,6-diphenyloxan-2-one
CID 14144368
(5R)-5-(4-bromophenyl)-5-(iodomethyl)oxolan-2-one
CID 44513613
(5R)-5-(bromomethyl)-5-naphthalen-1-yloxolan-2-one
CID 139247618
(6R)-6-methyl-6-phenyloxan-2-one
CID 100971522
5-(3,4-dichlorophenyl)-5-ethyloxolan-2-one
CID 11345954
(2S)-2-(chloromethyl)-2-phenylcyclopentan-1-one
CID 102230862
2-(chloromethyl)-2-(4-phenylphenyl)oxirane
CID 10705499
(6S)-12,12-diphenyl-10,11-dioxadispiro[4.0.46.25]dodecan-9-one
CID 100982708
(5R)-5-(4-methoxyphenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one
CID 122380842

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(chloromethyl)-5-phenyloxolan-2-one?
The IUPAC name of (5S)-5-(chloromethyl)-5-phenyloxolan-2-one (CID 102486502) is (5S)-5-(chloromethyl)-5-phenyloxolan-2-one.
What is the SMILES notation for (5S)-5-(chloromethyl)-5-phenyloxolan-2-one?
The canonical SMILES for (5S)-5-(chloromethyl)-5-phenyloxolan-2-one is O=C1CC[C@@](CCl)(c2ccccc2)O1.
What is the InChIKey of (5S)-5-(chloromethyl)-5-phenyloxolan-2-one?
The InChIKey is OGVBUEVXVHHWQT-LLVKDONJSA-N. The full InChI is InChI=1S/C11H11ClO2/c12-8-11(7-6-10(13)14-11)9-4-2-1-3-5-9/h1-5H,6-8H2/t11-/m1/s1.
What are the key properties of (5S)-5-(chloromethyl)-5-phenyloxolan-2-one?
(5S)-5-(chloromethyl)-5-phenyloxolan-2-one has a molecular weight of 210.66 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(chloromethyl)-5-phenyloxolan-2-one is sourced from PubChem (CID 102486502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).