1-(4-bromo-2-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol

C13H16BrFO2 — CID 65161761

IUPAC1-(4-bromo-2-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
SMILESOC(CCC1CCCO1)c1ccc(Br)cc1F
InChIInChI=1S/C13H16BrFO2/c14-9-3-5-11(12(15)8-9)13(16)6-4-10-2-1-7-17-10/h3,5,8,10,13,16H,1-2,4,6-7H2
InChIKeyWVWDOOMRFWXFRC-UHFFFAOYSA-N
MW303.17 g/mol
LogP3.58
Rot. Bonds4

About 1-(4-bromo-2-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol

1-(4-bromo-2-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol (PubChem CID 65161761) has the molecular formula C13H16BrFO2 and a molecular weight of 303.17 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
PubChem CID65161761
Molecular FormulaC13H16BrFO2
Molecular Weight303.17 g/mol
Exact Mass302.03
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
SMILESOC(CCC1CCCO1)c1ccc(Br)cc1F
InChIInChI=1S/C13H16BrFO2/c14-9-3-5-11(12(15)8-9)13(16)6-4-10-2-1-7-17-10/h3,5,8,10,13,16H,1-2,4,6-7H2
InChIKeyWVWDOOMRFWXFRC-UHFFFAOYSA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol (CID 65161761) is 1-(4-bromo-2-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol is OC(CCC1CCCO1)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol?
The InChIKey is WVWDOOMRFWXFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFO2/c14-9-3-5-11(12(15)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-(4-bromo-2-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol?
1-(4-bromo-2-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol has a molecular weight of 303.17 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol is sourced from PubChem (CID 65161761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).