1-(5-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propan-1-ol

C13H16BrClO2 — CID 115809368

IUPAC1-(5-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propan-1-ol
SMILESOC(CCC1CCCO1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H16BrClO2/c14-9-3-5-12(15)11(8-9)13(16)6-4-10-2-1-7-17-10/h3,5,8,10,13,16H,1-2,4,6-7H2
InChIKeyJSBMSCJPRJYKPY-UHFFFAOYSA-N
MW319.63 g/mol
LogP4.10
Rot. Bonds4

About 1-(5-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propan-1-ol

1-(5-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propan-1-ol (PubChem CID 115809368) has the molecular formula C13H16BrClO2 and a molecular weight of 319.63 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propan-1-ol
PubChem CID115809368
Molecular FormulaC13H16BrClO2
Molecular Weight319.63 g/mol
Exact Mass318.00
IUPAC Name1-(5-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propan-1-ol
SMILESOC(CCC1CCCO1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H16BrClO2/c14-9-3-5-12(15)11(8-9)13(16)6-4-10-2-1-7-17-10/h3,5,8,10,13,16H,1-2,4,6-7H2
InChIKeyJSBMSCJPRJYKPY-UHFFFAOYSA-N
XLogP4.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propan-1-ol 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

1-(2-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 105397716
1-(3-bromophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65161913
1-(5-bromo-2-chlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 104993366
1-(4-chloro-2-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65167483
1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65161657
1-(2,4-difluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160611
1-(2-bromo-3-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 107985732
1-(4-bromonaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol
CID 79597707
1-(3-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65167485
[1-(2,5-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105302010
1-(5-bromofuran-2-yl)-3-(oxolan-2-yl)propan-1-ol
CID 65162067
1-(5-bromo-2-fluorophenyl)-2-(oxolan-2-yl)ethanol
CID 65148287

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propan-1-ol?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propan-1-ol (CID 115809368) is 1-(5-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propan-1-ol?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propan-1-ol is OC(CCC1CCCO1)c1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propan-1-ol?
The InChIKey is JSBMSCJPRJYKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClO2/c14-9-3-5-12(15)11(8-9)13(16)6-4-10-2-1-7-17-10/h3,5,8,10,13,16H,1-2,4,6-7H2.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propan-1-ol?
1-(5-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propan-1-ol has a molecular weight of 319.63 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propan-1-ol is sourced from PubChem (CID 115809368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).