(3-bromo-4-fluorophenyl)-(5-methyloxolan-3-yl)methanol

C12H14BrFO2 — CID 114826764

IUPAC(3-bromo-4-fluorophenyl)-(5-methyloxolan-3-yl)methanol
SMILESCC1CC(C(O)c2ccc(F)c(Br)c2)CO1
InChIInChI=1S/C12H14BrFO2/c1-7-4-9(6-16-7)12(15)8-2-3-11(14)10(13)5-8/h2-3,5,7,9,12,15H,4,6H2,1H3
InChIKeyNMOJTNSPXJVKQR-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.05
Rot. Bonds2

About (3-bromo-4-fluorophenyl)-(5-methyloxolan-3-yl)methanol

(3-bromo-4-fluorophenyl)-(5-methyloxolan-3-yl)methanol (PubChem CID 114826764) has the molecular formula C12H14BrFO2 and a molecular weight of 289.14 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(5-methyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(5-methyloxolan-3-yl)methanol
PubChem CID114826764
Molecular FormulaC12H14BrFO2
Molecular Weight289.14 g/mol
Exact Mass288.02
IUPAC Name(3-bromo-4-fluorophenyl)-(5-methyloxolan-3-yl)methanol
SMILESCC1CC(C(O)c2ccc(F)c(Br)c2)CO1
InChIInChI=1S/C12H14BrFO2/c1-7-4-9(6-16-7)12(15)8-2-3-11(14)10(13)5-8/h2-3,5,7,9,12,15H,4,6H2,1H3
InChIKeyNMOJTNSPXJVKQR-UHFFFAOYSA-N
XLogP3.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanol
CID 114826691
(4-chlorophenyl)-(5-methyloxolan-3-yl)methanol
CID 114826660
(5-bromo-2-fluorophenyl)-(5-methyloxolan-3-yl)methanol
CID 115820673
(3-bromo-4-fluorophenyl)-(oxan-3-yl)methanol
CID 79746537
2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115819109
(3-ethylphenyl)-(5-methyloxolan-3-yl)methanol
CID 115823866
(3-bromo-4-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79906549
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-methyloxolan-3-yl)methanol
CID 114826706
4-[(4-bromo-2,5-difluorophenyl)-chloromethyl]-2-methyloxolane
CID 114826991
2-(5-bromo-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanol
CID 115784886
(3-bromo-4-fluorophenyl)-(4-butylcyclohexyl)methanol
CID 79747124
[4-fluoro-3-(trifluoromethyl)phenyl]-(5-methyloxolan-3-yl)methanamine
CID 107291977

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(5-methyloxolan-3-yl)methanol?
The IUPAC name of (3-bromo-4-fluorophenyl)-(5-methyloxolan-3-yl)methanol (CID 114826764) is (3-bromo-4-fluorophenyl)-(5-methyloxolan-3-yl)methanol.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(5-methyloxolan-3-yl)methanol?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(5-methyloxolan-3-yl)methanol is CC1CC(C(O)c2ccc(F)c(Br)c2)CO1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(5-methyloxolan-3-yl)methanol?
The InChIKey is NMOJTNSPXJVKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO2/c1-7-4-9(6-16-7)12(15)8-2-3-11(14)10(13)5-8/h2-3,5,7,9,12,15H,4,6H2,1H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(5-methyloxolan-3-yl)methanol?
(3-bromo-4-fluorophenyl)-(5-methyloxolan-3-yl)methanol has a molecular weight of 289.14 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(5-methyloxolan-3-yl)methanol is sourced from PubChem (CID 114826764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).