[3-[(2-bromo-4-fluorophenyl)methyl]oxolan-3-yl]methanol

C12H14BrFO2 — CID 66057540

IUPAC[3-[(2-bromo-4-fluorophenyl)methyl]oxolan-3-yl]methanol
SMILESOCC1(Cc2ccc(F)cc2Br)CCOC1
InChIInChI=1S/C12H14BrFO2/c13-11-5-10(14)2-1-9(11)6-12(7-15)3-4-16-8-12/h1-2,5,15H,3-4,6-8H2
InChIKeyPIQIHOSHBJJPMN-UHFFFAOYSA-N
MW289.14 g/mol
LogP2.53
Rot. Bonds3

About [3-[(2-bromo-4-fluorophenyl)methyl]oxolan-3-yl]methanol

[3-[(2-bromo-4-fluorophenyl)methyl]oxolan-3-yl]methanol (PubChem CID 66057540) has the molecular formula C12H14BrFO2 and a molecular weight of 289.14 g/mol. Its IUPAC name is [3-[(2-bromo-4-fluorophenyl)methyl]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2-bromo-4-fluorophenyl)methyl]oxolan-3-yl]methanol
PubChem CID66057540
Molecular FormulaC12H14BrFO2
Molecular Weight289.14 g/mol
Exact Mass288.02
IUPAC Name[3-[(2-bromo-4-fluorophenyl)methyl]oxolan-3-yl]methanol
SMILESOCC1(Cc2ccc(F)cc2Br)CCOC1
InChIInChI=1S/C12H14BrFO2/c13-11-5-10(14)2-1-9(11)6-12(7-15)3-4-16-8-12/h1-2,5,15H,3-4,6-8H2
InChIKeyPIQIHOSHBJJPMN-UHFFFAOYSA-N
XLogP2.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(2-bromo-4-fluorophenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62906086
3-[(2-bromo-4-fluorophenyl)methyl]-4-oxooxane-3-carboxylic acid
CID 106469880
3-(chloromethyl)-3-[(2,5-difluorophenyl)methyl]oxolane
CID 66034129
[3-[(4-chloro-2-fluorophenyl)methyl]oxan-3-yl]methanol
CID 114113402
2-bromo-1-[[1-(chloromethyl)cyclohexyl]methyl]-4-fluorobenzene
CID 66033772
[3-[(2-chloro-4-methylphenyl)methyl]oxolan-3-yl]methanol
CID 106870599
[3-[(2-bromo-4-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanol
CID 104510390
[3-[(2-methoxyphenyl)methyl]oxolan-3-yl]methanol
CID 66058999
[3-[(2,5-dichlorophenyl)methyl]oxolan-3-yl]methanol
CID 66060289
N-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194197
4-[(2-bromo-4-fluorophenyl)methyl]-2-methyloxan-4-ol
CID 65149577
[3-[(2-methoxy-5-methylphenyl)methyl]oxolan-3-yl]methanol
CID 66059005

Frequently Asked Questions

What is the IUPAC name of [3-[(2-bromo-4-fluorophenyl)methyl]oxolan-3-yl]methanol?
The IUPAC name of [3-[(2-bromo-4-fluorophenyl)methyl]oxolan-3-yl]methanol (CID 66057540) is [3-[(2-bromo-4-fluorophenyl)methyl]oxolan-3-yl]methanol.
What is the SMILES notation for [3-[(2-bromo-4-fluorophenyl)methyl]oxolan-3-yl]methanol?
The canonical SMILES for [3-[(2-bromo-4-fluorophenyl)methyl]oxolan-3-yl]methanol is OCC1(Cc2ccc(F)cc2Br)CCOC1.
What is the InChIKey of [3-[(2-bromo-4-fluorophenyl)methyl]oxolan-3-yl]methanol?
The InChIKey is PIQIHOSHBJJPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO2/c13-11-5-10(14)2-1-9(11)6-12(7-15)3-4-16-8-12/h1-2,5,15H,3-4,6-8H2.
What are the key properties of [3-[(2-bromo-4-fluorophenyl)methyl]oxolan-3-yl]methanol?
[3-[(2-bromo-4-fluorophenyl)methyl]oxolan-3-yl]methanol has a molecular weight of 289.14 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-bromo-4-fluorophenyl)methyl]oxolan-3-yl]methanol is sourced from PubChem (CID 66057540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).