(5R)-5-(bromomethyl)-5-naphthalen-1-yloxolan-2-one

C15H13BrO2 — CID 139247618

IUPAC(5R)-5-(bromomethyl)-5-naphthalen-1-yloxolan-2-one
SMILESO=C1CC[C@](CBr)(c2cccc3ccccc23)O1
InChIInChI=1S/C15H13BrO2/c16-10-15(9-8-14(17)18-15)13-7-3-5-11-4-1-2-6-12(11)13/h1-7H,8-10H2/t15-/m0/s1
InChIKeyJQIPLDYXZCITHM-HNNXBMFYSA-N
MW305.17 g/mol
LogP3.77
Rot. Bonds2

About (5R)-5-(bromomethyl)-5-naphthalen-1-yloxolan-2-one

(5R)-5-(bromomethyl)-5-naphthalen-1-yloxolan-2-one (PubChem CID 139247618) has the molecular formula C15H13BrO2 and a molecular weight of 305.17 g/mol. Its IUPAC name is (5R)-5-(bromomethyl)-5-naphthalen-1-yloxolan-2-one.

Molecular Properties

Compound Name(5R)-5-(bromomethyl)-5-naphthalen-1-yloxolan-2-one
PubChem CID139247618
Molecular FormulaC15H13BrO2
Molecular Weight305.17 g/mol
Exact Mass304.01
IUPAC Name(5R)-5-(bromomethyl)-5-naphthalen-1-yloxolan-2-one
SMILESO=C1CC[C@](CBr)(c2cccc3ccccc23)O1
InChIInChI=1S/C15H13BrO2/c16-10-15(9-8-14(17)18-15)13-7-3-5-11-4-1-2-6-12(11)13/h1-7H,8-10H2/t15-/m0/s1
InChIKeyJQIPLDYXZCITHM-HNNXBMFYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 53.77
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-phenyloxolan-2-one
CID 102486502
3-bromo-3-naphthalen-1-yloxetane
CID 116876457
ethane;1-(1-methoxycyclopentyl)naphthalene
CID 91502072
(5R)-5-(4-bromophenyl)-5-(iodomethyl)oxolan-2-one
CID 44513613
1-naphthalen-1-ylcyclopentane-1-carbaldehyde
CID 86726004
(6S)-6-(bromomethyl)-6-(4-methoxyphenyl)oxan-2-one
CID 102342730
5-(bromomethyl)-5-(2-bromophenyl)-3-methylideneoxolan-2-one
CID 166067151
N-(1-naphthalen-1-ylcyclopropyl)formamide
CID 174193141
3-naphthalen-1-yloxetan-3-ol
CID 116873048
3-chloro-3-naphthalen-1-yloxetane
CID 116876568
3,4-dihydrobenzo[h]chromen-2-one
CID 19694428
(5S)-5-(4-chlorophenyl)-5-(iodomethyl)oxolan-2-one
CID 134918786

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(bromomethyl)-5-naphthalen-1-yloxolan-2-one?
The IUPAC name of (5R)-5-(bromomethyl)-5-naphthalen-1-yloxolan-2-one (CID 139247618) is (5R)-5-(bromomethyl)-5-naphthalen-1-yloxolan-2-one.
What is the SMILES notation for (5R)-5-(bromomethyl)-5-naphthalen-1-yloxolan-2-one?
The canonical SMILES for (5R)-5-(bromomethyl)-5-naphthalen-1-yloxolan-2-one is O=C1CC[C@](CBr)(c2cccc3ccccc23)O1.
What is the InChIKey of (5R)-5-(bromomethyl)-5-naphthalen-1-yloxolan-2-one?
The InChIKey is JQIPLDYXZCITHM-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H13BrO2/c16-10-15(9-8-14(17)18-15)13-7-3-5-11-4-1-2-6-12(11)13/h1-7H,8-10H2/t15-/m0/s1.
What are the key properties of (5R)-5-(bromomethyl)-5-naphthalen-1-yloxolan-2-one?
(5R)-5-(bromomethyl)-5-naphthalen-1-yloxolan-2-one has a molecular weight of 305.17 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(bromomethyl)-5-naphthalen-1-yloxolan-2-one is sourced from PubChem (CID 139247618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).