3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol

C13H16BrFO2 — CID 116712649

IUPAC3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
SMILESCOC(C(O)Cc1cc(F)ccc1Br)C1CC1
InChIInChI=1S/C13H16BrFO2/c1-17-13(8-2-3-8)12(16)7-9-6-10(15)4-5-11(9)14/h4-6,8,12-13,16H,2-3,7H2,1H3
InChIKeyWNWBDBQSLNUUIP-UHFFFAOYSA-N
MW303.17 g/mol
LogP2.92
Rot. Bonds5

About 3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol

3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol (PubChem CID 116712649) has the molecular formula C13H16BrFO2 and a molecular weight of 303.17 g/mol. Its IUPAC name is 3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol.

Molecular Properties

Compound Name3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
PubChem CID116712649
Molecular FormulaC13H16BrFO2
Molecular Weight303.17 g/mol
Exact Mass302.03
IUPAC Name3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
SMILESCOC(C(O)Cc1cc(F)ccc1Br)C1CC1
InChIInChI=1S/C13H16BrFO2/c1-17-13(8-2-3-8)12(16)7-9-6-10(15)4-5-11(9)14/h4-6,8,12-13,16H,2-3,7H2,1H3
InChIKeyWNWBDBQSLNUUIP-UHFFFAOYSA-N
XLogP2.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-amine
CID 116721854
3-(2-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 116712466
3-(5-chloro-2-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 103048349
1-(2-bromo-5-fluorophenyl)-3-methoxypropan-2-ol
CID 62608798
1-cyclopropyl-3-(2,5-dimethylphenyl)-1-methoxypropan-2-ol
CID 116712602
1-cyclohexyl-3-(3-fluorophenyl)-1-methoxypropan-2-ol
CID 116756361
1-cyclopropyl-3-(3,4-dimethylphenyl)-1-methoxypropan-2-ol
CID 116712521
2-(2-bromo-5-fluorophenyl)-1-(4,4-difluorocyclohexyl)ethanol
CID 105088370
3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
CID 116771947
1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-ol
CID 65149561
2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine
CID 65398871
3-(4-bromo-2-chlorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol
CID 116756312

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol?
The IUPAC name of 3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol (CID 116712649) is 3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol.
What is the SMILES notation for 3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol?
The canonical SMILES for 3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol is COC(C(O)Cc1cc(F)ccc1Br)C1CC1.
What is the InChIKey of 3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol?
The InChIKey is WNWBDBQSLNUUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFO2/c1-17-13(8-2-3-8)12(16)7-9-6-10(15)4-5-11(9)14/h4-6,8,12-13,16H,2-3,7H2,1H3.
What are the key properties of 3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol?
3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol has a molecular weight of 303.17 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol is sourced from PubChem (CID 116712649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).