(2R,4R)-2-(bromomethyl)-4-(2-methylphenyl)oxolane

C12H15BrO — CID 125456017

IUPAC(2R,4R)-2-(bromomethyl)-4-(2-methylphenyl)oxolane
SMILESCc1ccccc1[C@@H]1CO[C@@H](CBr)C1
InChIInChI=1S/C12H15BrO/c1-9-4-2-3-5-12(9)10-6-11(7-13)14-8-10/h2-5,10-11H,6-8H2,1H3/t10-,11+/m0/s1
InChIKeyOGKMIBOJLQUAFC-WDEREUQCSA-N
MW255.15 g/mol
LogP3.26
Rot. Bonds2

About (2R,4R)-2-(bromomethyl)-4-(2-methylphenyl)oxolane

(2R,4R)-2-(bromomethyl)-4-(2-methylphenyl)oxolane (PubChem CID 125456017) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is (2R,4R)-2-(bromomethyl)-4-(2-methylphenyl)oxolane.

Molecular Properties

Compound Name(2R,4R)-2-(bromomethyl)-4-(2-methylphenyl)oxolane
PubChem CID125456017
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name(2R,4R)-2-(bromomethyl)-4-(2-methylphenyl)oxolane
SMILESCc1ccccc1[C@@H]1CO[C@@H](CBr)C1
InChIInChI=1S/C12H15BrO/c1-9-4-2-3-5-12(9)10-6-11(7-13)14-8-10/h2-5,10-11H,6-8H2,1H3/t10-,11+/m0/s1
InChIKeyOGKMIBOJLQUAFC-WDEREUQCSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-methylphenyl)oxolan-2-yl]methanamine
CID 155895844
(2R,4R)-2-(bromomethyl)-4-(2-fluorophenyl)oxolane
CID 125456369
(2R,4R)-2-(azidomethyl)-4-(2-methylphenyl)oxolane
CID 125456018
1-[4-(bromomethyl)cyclohexyl]-2-methylbenzene
CID 126696164
3-(2-methylphenyl)cyclobutan-1-ol
CID 60792741
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine
CID 43632423
(2S,4R)-2-(azidomethyl)-4-(2-methoxyphenyl)oxolane
CID 125456577
2-(bromomethyl)oxirane;1-(1,3-dibromopropan-2-yloxy)-2-methylbenzene
CID 87237783
1-[(1S,3R)-3-(2-methylphenyl)cyclopentyl]pyrrole
CID 141383259
3-(bromomethyl)-4-(2-methylphenyl)pyrrolidine
CID 131124384
[(2R,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol
CID 94253898
[(2S,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol
CID 94253899

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(bromomethyl)-4-(2-methylphenyl)oxolane?
The IUPAC name of (2R,4R)-2-(bromomethyl)-4-(2-methylphenyl)oxolane (CID 125456017) is (2R,4R)-2-(bromomethyl)-4-(2-methylphenyl)oxolane.
What is the SMILES notation for (2R,4R)-2-(bromomethyl)-4-(2-methylphenyl)oxolane?
The canonical SMILES for (2R,4R)-2-(bromomethyl)-4-(2-methylphenyl)oxolane is Cc1ccccc1[C@@H]1CO[C@@H](CBr)C1.
What is the InChIKey of (2R,4R)-2-(bromomethyl)-4-(2-methylphenyl)oxolane?
The InChIKey is OGKMIBOJLQUAFC-WDEREUQCSA-N. The full InChI is InChI=1S/C12H15BrO/c1-9-4-2-3-5-12(9)10-6-11(7-13)14-8-10/h2-5,10-11H,6-8H2,1H3/t10-,11+/m0/s1.
What are the key properties of (2R,4R)-2-(bromomethyl)-4-(2-methylphenyl)oxolane?
(2R,4R)-2-(bromomethyl)-4-(2-methylphenyl)oxolane has a molecular weight of 255.15 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(bromomethyl)-4-(2-methylphenyl)oxolane is sourced from PubChem (CID 125456017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).