3-(5-bromo-2-fluorophenyl)propan-1-ol

C9H10BrFO — CID 53434338

IUPAC3-(5-bromo-2-fluorophenyl)propan-1-ol
SMILESOCCCc1cc(Br)ccc1F
InChIInChI=1S/C9H10BrFO/c10-8-3-4-9(11)7(6-8)2-1-5-12/h3-4,6,12H,1-2,5H2
InChIKeyRADLVHVOWIOWAY-UHFFFAOYSA-N
MW233.08 g/mol
LogP2.51
Rot. Bonds3

About 3-(5-bromo-2-fluorophenyl)propan-1-ol

3-(5-bromo-2-fluorophenyl)propan-1-ol (PubChem CID 53434338) has the molecular formula C9H10BrFO and a molecular weight of 233.08 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)propan-1-ol
PubChem CID53434338
Molecular FormulaC9H10BrFO
Molecular Weight233.08 g/mol
Exact Mass231.99
IUPAC Name3-(5-bromo-2-fluorophenyl)propan-1-ol
SMILESOCCCc1cc(Br)ccc1F
InChIInChI=1S/C9H10BrFO/c10-8-3-4-9(11)7(6-8)2-1-5-12/h3-4,6,12H,1-2,5H2
InChIKeyRADLVHVOWIOWAY-UHFFFAOYSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.08
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(5-bromo-2-fluorophenyl)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

2-(4-Bromophenyl)ethanol
CID 72851
3-Bromobenzyl alcohol
CID 85141
1-(3-Bromophenyl)ethanol
CID 98479
3-(2-Bromophenyl)propan-1-ol
CID 10512846
1-(3-Bromophenyl)-2,2,2-trifluoroethan-1-ol
CID 23423062
2-(2-Bromophenyl)ethan-1-ol
CID 2734089
(1S)-1-(3-bromophenyl)ethan-1-ol
CID 6951261
3-(4-Fluorophenyl)propan-1-ol
CID 13747241
(1R)-1-(3-bromophenyl)ethan-1-ol
CID 2734889
3-(4-Bromophenyl)propan-1-ol
CID 10560614
1-(3-Bromophenyl)propan-1-ol
CID 11790580
3-(3-Bromophenyl)propan-1-ol
CID 18785928

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)propan-1-ol?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)propan-1-ol (CID 53434338) is 3-(5-bromo-2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)propan-1-ol is OCCCc1cc(Br)ccc1F.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)propan-1-ol?
The InChIKey is RADLVHVOWIOWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO/c10-8-3-4-9(11)7(6-8)2-1-5-12/h3-4,6,12H,1-2,5H2.
What are the key properties of 3-(5-bromo-2-fluorophenyl)propan-1-ol?
3-(5-bromo-2-fluorophenyl)propan-1-ol has a molecular weight of 233.08 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 53434338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).