[3-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanol

C15H18BrFO2 — CID 104510431

IUPAC[3-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanol
SMILESOCC1(Cc2cc(Br)ccc2F)CCOC1C1CC1
InChIInChI=1S/C15H18BrFO2/c16-12-3-4-13(17)11(7-12)8-15(9-18)5-6-19-14(15)10-1-2-10/h3-4,7,10,14,18H,1-2,5-6,8-9H2
InChIKeyFZHDTAVEDYUQNY-UHFFFAOYSA-N
MW329.21 g/mol
LogP3.31
Rot. Bonds4

About [3-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanol

[3-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanol (PubChem CID 104510431) has the molecular formula C15H18BrFO2 and a molecular weight of 329.21 g/mol. Its IUPAC name is [3-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanol
PubChem CID104510431
Molecular FormulaC15H18BrFO2
Molecular Weight329.21 g/mol
Exact Mass328.05
IUPAC Name[3-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanol
SMILESOCC1(Cc2cc(Br)ccc2F)CCOC1C1CC1
InChIInChI=1S/C15H18BrFO2/c16-12-3-4-13(17)11(7-12)8-15(9-18)5-6-19-14(15)10-1-2-10/h3-4,7,10,14,18H,1-2,5-6,8-9H2
InChIKeyFZHDTAVEDYUQNY-UHFFFAOYSA-N
XLogP3.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(2-bromo-4-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanol
CID 104510390
[2-cyclopropyl-3-[(4-fluorophenyl)methyl]oxolan-3-yl]methanol
CID 104510415
3-[(4-bromo-2-chlorophenyl)methyl]-3-(bromomethyl)-2-cyclopropyloxolane
CID 113471676
N-[[2-cyclopropyl-3-[(2,5-difluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 104509713
1-[3-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine
CID 114858962
[2-cyclopropyl-3-[(3,4-difluorophenyl)methyl]oxolan-3-yl]methanamine
CID 104509406
N-[[2-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 104509663
[1-[(5-bromo-2-fluorophenyl)methyl]-4-tert-butylcyclohexyl]methanol
CID 66026576
1-[(5-bromo-2-fluorophenyl)methyl]cyclopropane-1-carboxylic acid
CID 66023748
N-[[3-[(4-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methyl]cyclopropanamine
CID 104509960
1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol
CID 65154386
3-(bromomethyl)-2-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]oxolane
CID 107310849

Frequently Asked Questions

What is the IUPAC name of [3-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanol?
The IUPAC name of [3-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanol (CID 104510431) is [3-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanol.
What is the SMILES notation for [3-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanol?
The canonical SMILES for [3-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanol is OCC1(Cc2cc(Br)ccc2F)CCOC1C1CC1.
What is the InChIKey of [3-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanol?
The InChIKey is FZHDTAVEDYUQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFO2/c16-12-3-4-13(17)11(7-12)8-15(9-18)5-6-19-14(15)10-1-2-10/h3-4,7,10,14,18H,1-2,5-6,8-9H2.
What are the key properties of [3-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanol?
[3-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanol has a molecular weight of 329.21 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanol is sourced from PubChem (CID 104510431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).