(2S)-2-(4-bromophenyl)oxolane

C10H11BrO — CID 14653182

IUPAC(2S)-2-(4-bromophenyl)oxolane
SMILESBrc1ccc([C@@H]2CCCO2)cc1
InChIInChI=1S/C10H11BrO/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3-6,10H,1-2,7H2/t10-/m0/s1
InChIKeyOUJWSBTVHIGHIS-JTQLQIEISA-N
MW227.10 g/mol
LogP3.30
Rot. Bonds1

About (2S)-2-(4-bromophenyl)oxolane

(2S)-2-(4-bromophenyl)oxolane (PubChem CID 14653182) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is (2S)-2-(4-bromophenyl)oxolane.

Molecular Properties

Compound Name(2S)-2-(4-bromophenyl)oxolane
PubChem CID14653182
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name(2S)-2-(4-bromophenyl)oxolane
SMILESBrc1ccc([C@@H]2CCCO2)cc1
InChIInChI=1S/C10H11BrO/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3-6,10H,1-2,7H2/t10-/m0/s1
InChIKeyOUJWSBTVHIGHIS-JTQLQIEISA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-Bromophenyl)oxirane
CID 119460
1-(4-Bromophenyl)ethanol
CID 95352
2-Aminomethyl-5-(p-bromophenyl)tetrahydrofuran
CID 11644566
4-Bromo-alpha-propylbenzenemethanol
CID 90739
4-Bromo-alpha-ethylbenzenemethanol
CID 107290
2-(3-Bromophenyl)oxirane
CID 147193
(((1,3-Dibromopropan-2-yl)oxy)methyl)benzene
CID 561824
2-(4-Bromophenyl)-2-methyl-1,3-dioxolane
CID 614920
1-Bromo-4-(dimethoxymethyl)benzene
CID 688342
(1S)-1-(4-bromophenyl)ethan-1-ol
CID 2734890
1-Bromo-4-(1-methoxyethyl)benzene
CID 10965890
(2S)-2-(4-bromophenyl)oxirane
CID 12163514

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenyl)oxolane?
The IUPAC name of (2S)-2-(4-bromophenyl)oxolane (CID 14653182) is (2S)-2-(4-bromophenyl)oxolane.
What is the SMILES notation for (2S)-2-(4-bromophenyl)oxolane?
The canonical SMILES for (2S)-2-(4-bromophenyl)oxolane is Brc1ccc([C@@H]2CCCO2)cc1.
What is the InChIKey of (2S)-2-(4-bromophenyl)oxolane?
The InChIKey is OUJWSBTVHIGHIS-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11BrO/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3-6,10H,1-2,7H2/t10-/m0/s1.
What are the key properties of (2S)-2-(4-bromophenyl)oxolane?
(2S)-2-(4-bromophenyl)oxolane has a molecular weight of 227.10 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenyl)oxolane is sourced from PubChem (CID 14653182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).