(3R)-3-(4-bromophenyl)oxolane

C10H11BrO — CID 95731213

IUPAC(3R)-3-(4-bromophenyl)oxolane
SMILESBrc1ccc([C@H]2CCOC2)cc1
InChIInChI=1S/C10H11BrO/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-4,9H,5-7H2/t9-/m0/s1
InChIKeyJAVFDQBREKPGPG-VIFPVBQESA-N
MW227.10 g/mol
LogP2.95
Rot. Bonds1

About (3R)-3-(4-bromophenyl)oxolane

(3R)-3-(4-bromophenyl)oxolane (PubChem CID 95731213) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is (3R)-3-(4-bromophenyl)oxolane.

Molecular Properties

Compound Name(3R)-3-(4-bromophenyl)oxolane
PubChem CID95731213
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name(3R)-3-(4-bromophenyl)oxolane
SMILESBrc1ccc([C@H]2CCOC2)cc1
InChIInChI=1S/C10H11BrO/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-4,9H,5-7H2/t9-/m0/s1
InChIKeyJAVFDQBREKPGPG-VIFPVBQESA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-phenyloxolane
CID 92859476
3-(3-bromophenyl)oxolane
CID 66521315
[4-(oxolan-3-yl)phenyl]methanamine
CID 83827764
2-methyl-1-[4-(oxolan-3-yl)phenyl]propan-2-amine
CID 117313363
4-[4-(oxolan-3-yl)phenyl]butan-1-amine
CID 117313253
3-(4-bromophenyl)sulfanyloxolane
CID 77406303
1-[4-(oxolan-3-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117405018
4-(4-methylphenyl)oxane
CID 46222621
1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride
CID 66919211
1-bromo-4-(4-methylcyclohexyl)benzene
CID 21137228
6-bromo-2-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117128802
1-[(4-bromophenyl)methyl]-3-(oxolan-3-yl)pyrazol-4-amine
CID 113483573

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-bromophenyl)oxolane?
The IUPAC name of (3R)-3-(4-bromophenyl)oxolane (CID 95731213) is (3R)-3-(4-bromophenyl)oxolane.
What is the SMILES notation for (3R)-3-(4-bromophenyl)oxolane?
The canonical SMILES for (3R)-3-(4-bromophenyl)oxolane is Brc1ccc([C@H]2CCOC2)cc1.
What is the InChIKey of (3R)-3-(4-bromophenyl)oxolane?
The InChIKey is JAVFDQBREKPGPG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11BrO/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-4,9H,5-7H2/t9-/m0/s1.
What are the key properties of (3R)-3-(4-bromophenyl)oxolane?
(3R)-3-(4-bromophenyl)oxolane has a molecular weight of 227.10 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-bromophenyl)oxolane is sourced from PubChem (CID 95731213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).