2-(2-bromo-5-fluorophenyl)-1-(2-methyloxan-2-yl)ethanol

C14H18BrFO2 — CID 80684366

IUPAC2-(2-bromo-5-fluorophenyl)-1-(2-methyloxan-2-yl)ethanol
SMILESCC1(C(O)Cc2cc(F)ccc2Br)CCCCO1
InChIInChI=1S/C14H18BrFO2/c1-14(6-2-3-7-18-14)13(17)9-10-8-11(16)4-5-12(10)15/h4-5,8,13,17H,2-3,6-7,9H2,1H3
InChIKeyCDCCAQHNUADLPR-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.45
Rot. Bonds3

About 2-(2-bromo-5-fluorophenyl)-1-(2-methyloxan-2-yl)ethanol

2-(2-bromo-5-fluorophenyl)-1-(2-methyloxan-2-yl)ethanol (PubChem CID 80684366) has the molecular formula C14H18BrFO2 and a molecular weight of 317.20 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(2-methyloxan-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(2-methyloxan-2-yl)ethanol
PubChem CID80684366
Molecular FormulaC14H18BrFO2
Molecular Weight317.20 g/mol
Exact Mass316.05
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(2-methyloxan-2-yl)ethanol
SMILESCC1(C(O)Cc2cc(F)ccc2Br)CCCCO1
InChIInChI=1S/C14H18BrFO2/c1-14(6-2-3-7-18-14)13(17)9-10-8-11(16)4-5-12(10)15/h4-5,8,13,17H,2-3,6-7,9H2,1H3
InChIKeyCDCCAQHNUADLPR-UHFFFAOYSA-N
XLogP3.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanol
CID 105088454
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
CID 115843879
2-(2-bromo-5-fluorophenyl)-1-(1-methylcyclopentyl)ethanamine
CID 115843507
2-(2,5-difluorophenyl)-1-(2-methyloxan-2-yl)ethanamine
CID 80684873
2-(2-bromo-5-fluorophenyl)-1-(1-methoxycyclohexyl)ethanamine
CID 116762549
1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-ol
CID 62606118
1-(2-methyloxan-2-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 80684865
2-(4-chlorophenyl)-1-(2-methyloxan-2-yl)ethanol
CID 80685016
2-(2-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79066492
1-(2-bromo-5-fluorophenyl)-3-methoxypropan-2-ol
CID 62608798
2-(2-chloro-5-fluorophenyl)-1-(1-methylcyclohexyl)ethanol
CID 106831059
2-(2-bromo-5-fluorophenyl)-1-(oxolan-2-yl)ethanol
CID 65331133

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(2-methyloxan-2-yl)ethanol?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(2-methyloxan-2-yl)ethanol (CID 80684366) is 2-(2-bromo-5-fluorophenyl)-1-(2-methyloxan-2-yl)ethanol.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(2-methyloxan-2-yl)ethanol?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(2-methyloxan-2-yl)ethanol is CC1(C(O)Cc2cc(F)ccc2Br)CCCCO1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(2-methyloxan-2-yl)ethanol?
The InChIKey is CDCCAQHNUADLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFO2/c1-14(6-2-3-7-18-14)13(17)9-10-8-11(16)4-5-12(10)15/h4-5,8,13,17H,2-3,6-7,9H2,1H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(2-methyloxan-2-yl)ethanol?
2-(2-bromo-5-fluorophenyl)-1-(2-methyloxan-2-yl)ethanol has a molecular weight of 317.20 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-1-(2-methyloxan-2-yl)ethanol is sourced from PubChem (CID 80684366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).