5-(bromomethyl)-3-(2-hydroxyphenyl)-3-phenyloxolan-2-one

C17H15BrO3 — CID 6432783

IUPAC5-(bromomethyl)-3-(2-hydroxyphenyl)-3-phenyloxolan-2-one
SMILESO=C1OC(CBr)CC1(c1ccccc1)c1ccccc1O
InChIInChI=1S/C17H15BrO3/c18-11-13-10-17(16(20)21-13,12-6-2-1-3-7-12)14-8-4-5-9-15(14)19/h1-9,13,19H,10-11H2
InChIKeyRBRMYLBOSHCYII-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.39
Rot. Bonds3

About 5-(bromomethyl)-3-(2-hydroxyphenyl)-3-phenyloxolan-2-one

5-(bromomethyl)-3-(2-hydroxyphenyl)-3-phenyloxolan-2-one (PubChem CID 6432783) has the molecular formula C17H15BrO3 and a molecular weight of 347.21 g/mol. Its IUPAC name is 5-(bromomethyl)-3-(2-hydroxyphenyl)-3-phenyloxolan-2-one.

Molecular Properties

Compound Name5-(bromomethyl)-3-(2-hydroxyphenyl)-3-phenyloxolan-2-one
PubChem CID6432783
Molecular FormulaC17H15BrO3
Molecular Weight347.21 g/mol
Exact Mass346.02
IUPAC Name5-(bromomethyl)-3-(2-hydroxyphenyl)-3-phenyloxolan-2-one
SMILESO=C1OC(CBr)CC1(c1ccccc1)c1ccccc1O
InChIInChI=1S/C17H15BrO3/c18-11-13-10-17(16(20)21-13,12-6-2-1-3-7-12)14-8-4-5-9-15(14)19/h1-9,13,19H,10-11H2
InChIKeyRBRMYLBOSHCYII-UHFFFAOYSA-N
XLogP3.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-5-(bromomethyl)-N-methoxy-3,3-diphenyloxolan-2-imine
CID 177396848
chloromethane;3,3-diphenyl-5-(pyrazol-1-ylmethyl)oxolan-2-one;hydrate
CID 67925219
5-[(2,5-dimethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one
CID 15016078
5-[(4-methylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one
CID 11724326
5-[(3-methylimidazol-3-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one bromide
CID 10093139
5-ethyl-3-(1H-imidazol-2-yl)-3-phenyloxolan-2-one
CID 70474539
5-[(2-tert-butylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride
CID 45265282
5-[bromo(cyclohexylidene)methyl]-3,3-diphenyloxolan-2-one
CID 135028496
3-(bromomethyl)-2-oxaspiro[4.5]decan-1-one
CID 59051963
methane;5-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-3,3-diphenyloxolan-2-one
CID 157064716
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-phenylcyclopropyl)methanone
CID 102937638
(2S,5R)-5-(bromomethyl)-2-methyl-3,3-diphenyloxolane
CID 125472801

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-3-(2-hydroxyphenyl)-3-phenyloxolan-2-one?
The IUPAC name of 5-(bromomethyl)-3-(2-hydroxyphenyl)-3-phenyloxolan-2-one (CID 6432783) is 5-(bromomethyl)-3-(2-hydroxyphenyl)-3-phenyloxolan-2-one.
What is the SMILES notation for 5-(bromomethyl)-3-(2-hydroxyphenyl)-3-phenyloxolan-2-one?
The canonical SMILES for 5-(bromomethyl)-3-(2-hydroxyphenyl)-3-phenyloxolan-2-one is O=C1OC(CBr)CC1(c1ccccc1)c1ccccc1O.
What is the InChIKey of 5-(bromomethyl)-3-(2-hydroxyphenyl)-3-phenyloxolan-2-one?
The InChIKey is RBRMYLBOSHCYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrO3/c18-11-13-10-17(16(20)21-13,12-6-2-1-3-7-12)14-8-4-5-9-15(14)19/h1-9,13,19H,10-11H2.
What are the key properties of 5-(bromomethyl)-3-(2-hydroxyphenyl)-3-phenyloxolan-2-one?
5-(bromomethyl)-3-(2-hydroxyphenyl)-3-phenyloxolan-2-one has a molecular weight of 347.21 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-3-(2-hydroxyphenyl)-3-phenyloxolan-2-one is sourced from PubChem (CID 6432783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).