3-[1-(2-bromophenyl)ethyl]oxolane

C12H15BrO — CID 115047473

IUPAC3-[1-(2-bromophenyl)ethyl]oxolane
SMILESCC(c1ccccc1Br)C1CCOC1
InChIInChI=1S/C12H15BrO/c1-9(10-6-7-14-8-10)11-4-2-3-5-12(11)13/h2-5,9-10H,6-8H2,1H3
InChIKeyVCZWGTREOHPHML-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.59
Rot. Bonds2

About 3-[1-(2-bromophenyl)ethyl]oxolane

3-[1-(2-bromophenyl)ethyl]oxolane (PubChem CID 115047473) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 3-[1-(2-bromophenyl)ethyl]oxolane.

Molecular Properties

Compound Name3-[1-(2-bromophenyl)ethyl]oxolane
PubChem CID115047473
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name3-[1-(2-bromophenyl)ethyl]oxolane
SMILESCC(c1ccccc1Br)C1CCOC1
InChIInChI=1S/C12H15BrO/c1-9(10-6-7-14-8-10)11-4-2-3-5-12(11)13/h2-5,9-10H,6-8H2,1H3
InChIKeyVCZWGTREOHPHML-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-[1-(2-bromophenyl)ethyl]oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(2-bromophenyl)ethyl]oxane
CID 115050138
3-(1-phenylethyl)oxolane
CID 150323599
4-[1-(2-fluorophenyl)ethyl]oxane
CID 90399491
1-(2-bromophenyl)-1-(oxolan-3-yloxy)propan-2-amine
CID 55220620
N-[(1R)-1-(2-bromophenyl)ethyl]oxan-4-amine
CID 81379308
2-bromo-6-[(1R)-1-cyclopropylethyl]phenol
CID 118899018
N-[1-(2-methylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115704048
2-amino-N-[1-(2-bromophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784075
1-(4-bromonaphthalen-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 79597072
3-[1-(2-bromophenyl)-2-iodoethoxy]oxolane
CID 114774100
(2,5-dibromophenyl)-(oxolan-3-yl)methanol
CID 61277086
N-[1-(2-bromophenyl)ethyl]oxepan-4-amine
CID 65081524

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-bromophenyl)ethyl]oxolane?
The IUPAC name of 3-[1-(2-bromophenyl)ethyl]oxolane (CID 115047473) is 3-[1-(2-bromophenyl)ethyl]oxolane.
What is the SMILES notation for 3-[1-(2-bromophenyl)ethyl]oxolane?
The canonical SMILES for 3-[1-(2-bromophenyl)ethyl]oxolane is CC(c1ccccc1Br)C1CCOC1.
What is the InChIKey of 3-[1-(2-bromophenyl)ethyl]oxolane?
The InChIKey is VCZWGTREOHPHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c1-9(10-6-7-14-8-10)11-4-2-3-5-12(11)13/h2-5,9-10H,6-8H2,1H3.
What are the key properties of 3-[1-(2-bromophenyl)ethyl]oxolane?
3-[1-(2-bromophenyl)ethyl]oxolane has a molecular weight of 255.15 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-bromophenyl)ethyl]oxolane is sourced from PubChem (CID 115047473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).