5-(bromomethyl)-4-phenyloxolan-2-one

C11H11BrO2 — CID 59051964

IUPAC5-(bromomethyl)-4-phenyloxolan-2-one
SMILESO=C1CC(c2ccccc2)C(CBr)O1
InChIInChI=1S/C11H11BrO2/c12-7-10-9(6-11(13)14-10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChIKeyHBKYLPGUXQUXEZ-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.48
Rot. Bonds2

About 5-(bromomethyl)-4-phenyloxolan-2-one

5-(bromomethyl)-4-phenyloxolan-2-one (PubChem CID 59051964) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is 5-(bromomethyl)-4-phenyloxolan-2-one.

Molecular Properties

Compound Name5-(bromomethyl)-4-phenyloxolan-2-one
PubChem CID59051964
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name5-(bromomethyl)-4-phenyloxolan-2-one
SMILESO=C1CC(c2ccccc2)C(CBr)O1
InChIInChI=1S/C11H11BrO2/c12-7-10-9(6-11(13)14-10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChIKeyHBKYLPGUXQUXEZ-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.48
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

(4R,5R)-5-(hydroxymethyl)-4-phenyloxolan-2-one
CID 25179342
4-phenyl-5-prop-2-enyloxolan-2-one
CID 14448606
4-phenyl-5-(trifluoromethyl)oxolan-2-one
CID 144706053
4-(4-bromophenyl)-5-phenyloxolan-2-one
CID 144706057
(4S,5R)-4-phenyl-5-(2,2,2-trifluoroethoxy)oxolan-2-one
CID 177413972
4-(4-methylphenyl)-5-phenyloxolan-2-one
CID 144706058
(4R,5S,6S)-4-phenyl-6-(phenylselanylmethyl)-5-propan-2-yloxan-2-one
CID 15349188
(4S,5R,6R)-5-acetyl-4,6-diphenyloxan-2-one
CID 15448194
2-[(2R,3R,4R)-4-hydroxy-6-oxo-2-(phenylmethoxymethyl)oxan-3-yl]acetic acid
CID 70623246
4-(furan-2-yl)-5-phenyloxolan-2-one
CID 144706049
(4R,5R)-5-methyl-4-phenyloxan-2-one
CID 10607707
(4S,5S)-4-amino-5-phenyloxolan-2-one
CID 10867626

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-4-phenyloxolan-2-one?
The IUPAC name of 5-(bromomethyl)-4-phenyloxolan-2-one (CID 59051964) is 5-(bromomethyl)-4-phenyloxolan-2-one.
What is the SMILES notation for 5-(bromomethyl)-4-phenyloxolan-2-one?
The canonical SMILES for 5-(bromomethyl)-4-phenyloxolan-2-one is O=C1CC(c2ccccc2)C(CBr)O1.
What is the InChIKey of 5-(bromomethyl)-4-phenyloxolan-2-one?
The InChIKey is HBKYLPGUXQUXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO2/c12-7-10-9(6-11(13)14-10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2.
What are the key properties of 5-(bromomethyl)-4-phenyloxolan-2-one?
5-(bromomethyl)-4-phenyloxolan-2-one has a molecular weight of 255.11 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-4-phenyloxolan-2-one is sourced from PubChem (CID 59051964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).