2-(4-bromo-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol

C18H18BrFO — CID 65411188

IUPAC2-(4-bromo-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
SMILESOC(Cc1ccc(Br)cc1F)C1CCc2ccccc2C1
InChIInChI=1S/C18H18BrFO/c19-16-8-7-14(17(20)11-16)10-18(21)15-6-5-12-3-1-2-4-13(12)9-15/h1-4,7-8,11,15,18,21H,5-6,9-10H2
InChIKeyDVKRFTYWVMWBAB-UHFFFAOYSA-N
MW349.24 g/mol
LogP4.30
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol

2-(4-bromo-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol (PubChem CID 65411188) has the molecular formula C18H18BrFO and a molecular weight of 349.24 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
PubChem CID65411188
Molecular FormulaC18H18BrFO
Molecular Weight349.24 g/mol
Exact Mass348.05
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
SMILESOC(Cc1ccc(Br)cc1F)C1CCc2ccccc2C1
InChIInChI=1S/C18H18BrFO/c19-16-8-7-14(17(20)11-16)10-18(21)15-6-5-12-3-1-2-4-13(12)9-15/h1-4,7-8,11,15,18,21H,5-6,9-10H2
InChIKeyDVKRFTYWVMWBAB-UHFFFAOYSA-N
XLogP4.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluoro-2-methylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
CID 114347478
2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
CID 103048254
2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
CID 65410795
2-(4-bromo-2-fluorophenyl)-1-(2-methylcyclopropyl)ethanol
CID 65422333
2-(2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65404776
(5-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 79743119
2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
CID 65409816
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol
CID 103048252
2-(4-bromo-2-fluorophenyl)-1-piperidin-2-ylethanol
CID 106634576
1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trifluorophenyl)methanol
CID 107127371
(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320
2-(4-bromo-2-fluorophenyl)-1-(thian-2-yl)ethanol
CID 80621746

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol (CID 65411188) is 2-(4-bromo-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol is OC(Cc1ccc(Br)cc1F)C1CCc2ccccc2C1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol?
The InChIKey is DVKRFTYWVMWBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFO/c19-16-8-7-14(17(20)11-16)10-18(21)15-6-5-12-3-1-2-4-13(12)9-15/h1-4,7-8,11,15,18,21H,5-6,9-10H2.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol?
2-(4-bromo-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol has a molecular weight of 349.24 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol is sourced from PubChem (CID 65411188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).