2-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylethanol

C18H14BrFO — CID 63411027

IUPAC2-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylethanol
SMILESOC(Cc1ccc(Br)cc1F)c1ccc2ccccc2c1
InChIInChI=1S/C18H14BrFO/c19-16-8-7-14(17(20)11-16)10-18(21)15-6-5-12-3-1-2-4-13(12)9-15/h1-9,11,18,21H,10H2
InChIKeyJMZBLBPUYXIXPO-UHFFFAOYSA-N
MW345.21 g/mol
LogP5.02
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylethanol

2-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylethanol (PubChem CID 63411027) has the molecular formula C18H14BrFO and a molecular weight of 345.21 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylethanol
PubChem CID63411027
Molecular FormulaC18H14BrFO
Molecular Weight345.21 g/mol
Exact Mass344.02
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylethanol
SMILESOC(Cc1ccc(Br)cc1F)c1ccc2ccccc2c1
InChIInChI=1S/C18H14BrFO/c19-16-8-7-14(17(20)11-16)10-18(21)15-6-5-12-3-1-2-4-13(12)9-15/h1-9,11,18,21H,10H2
InChIKeyJMZBLBPUYXIXPO-UHFFFAOYSA-N
XLogP5.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.21
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Bromadiolone metabolite Unk 1
CID 139595396
Bromadiolone metabolite,M9
CID 139595937
2-(4-Bromo-benzyl)-naphthalen-1-ol
CID 15617869
1-(Anthracen-9-yl)ethanol
CID 343926
(3-Bromonaphthalen-2-yl)methanol
CID 264948
2,2,2-Trifluoro-1-(9-anthryl)ethanol
CID 103802
(+)-2,2,2-Trifluoro-1-(9-anthryl)ethanol
CID 2724111
(-)-2,2,2-Trifluoro-1-(9-anthryl)ethanol
CID 7006444
1-Naphthalenol, 3-(4'-bromo(1,1'-biphenyl)-4-yl)-1,2,3,4-tetrahydro-
CID 92048
Naphthalen-2-yl(phenyl)methanol
CID 570772
1-Anthracen-2-YL-ethanol
CID 4143652
2-Bromo-1-(naphthalen-2-yl)ethan-1-ol
CID 13102054

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylethanol?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylethanol (CID 63411027) is 2-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylethanol.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylethanol?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylethanol is OC(Cc1ccc(Br)cc1F)c1ccc2ccccc2c1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylethanol?
The InChIKey is JMZBLBPUYXIXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrFO/c19-16-8-7-14(17(20)11-16)10-18(21)15-6-5-12-3-1-2-4-13(12)9-15/h1-9,11,18,21H,10H2.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylethanol?
2-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylethanol has a molecular weight of 345.21 g/mol, XLogP of 5.02, 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-naphthalen-2-ylethanol is sourced from PubChem (CID 63411027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).