(5-bromo-2-fluorophenyl)-(3-methyloxolan-2-yl)methanol

C12H14BrFO2 — CID 115820768

IUPAC(5-bromo-2-fluorophenyl)-(3-methyloxolan-2-yl)methanol
SMILESCC1CCOC1C(O)c1cc(Br)ccc1F
InChIInChI=1S/C12H14BrFO2/c1-7-4-5-16-12(7)11(15)9-6-8(13)2-3-10(9)14/h2-3,6-7,11-12,15H,4-5H2,1H3
InChIKeyDAIAJHXBTSKJIU-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.05
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(3-methyloxolan-2-yl)methanol

(5-bromo-2-fluorophenyl)-(3-methyloxolan-2-yl)methanol (PubChem CID 115820768) has the molecular formula C12H14BrFO2 and a molecular weight of 289.14 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(3-methyloxolan-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(3-methyloxolan-2-yl)methanol
PubChem CID115820768
Molecular FormulaC12H14BrFO2
Molecular Weight289.14 g/mol
Exact Mass288.02
IUPAC Name(5-bromo-2-fluorophenyl)-(3-methyloxolan-2-yl)methanol
SMILESCC1CCOC1C(O)c1cc(Br)ccc1F
InChIInChI=1S/C12H14BrFO2/c1-7-4-5-16-12(7)11(15)9-6-8(13)2-3-10(9)14/h2-3,6-7,11-12,15H,4-5H2,1H3
InChIKeyDAIAJHXBTSKJIU-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

(5-bromo-2-fluorophenyl)-(5-methyloxolan-3-yl)methanol
CID 115820673
(2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanol
CID 115799765
(5-bromo-2-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 105011945
(5-bromo-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanol
CID 107005403
(3-methyloxolan-2-yl)-(2-methylphenyl)methanol
CID 114979278
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-methyloxolan-3-amine
CID 82962821
(5-bromo-2-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79906542
(5-bromo-2-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol
CID 105113662
1-(5-bromo-2-fluorophenyl)-2-(oxolan-2-yl)ethanol
CID 65148287
(3-bromo-4-ethoxyphenyl)-(3-methyloxolan-2-yl)methanol
CID 104661160
(5-fluoro-3-pyridinyl)-(3-methyloxolan-2-yl)methanol
CID 114981175
amino-(5-bromo-2-fluorophenyl)methanol
CID 116939684

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(3-methyloxolan-2-yl)methanol?
The IUPAC name of (5-bromo-2-fluorophenyl)-(3-methyloxolan-2-yl)methanol (CID 115820768) is (5-bromo-2-fluorophenyl)-(3-methyloxolan-2-yl)methanol.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(3-methyloxolan-2-yl)methanol?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(3-methyloxolan-2-yl)methanol is CC1CCOC1C(O)c1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(3-methyloxolan-2-yl)methanol?
The InChIKey is DAIAJHXBTSKJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO2/c1-7-4-5-16-12(7)11(15)9-6-8(13)2-3-10(9)14/h2-3,6-7,11-12,15H,4-5H2,1H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(3-methyloxolan-2-yl)methanol?
(5-bromo-2-fluorophenyl)-(3-methyloxolan-2-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 (5-bromo-2-fluorophenyl)-(3-methyloxolan-2-yl)methanol is sourced from PubChem (CID 115820768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).