2-(3-bromo-4-fluorophenyl)-1-naphthalen-1-ylethanol

C18H14BrFO — CID 63410648

IUPAC2-(3-bromo-4-fluorophenyl)-1-naphthalen-1-ylethanol
SMILESOC(Cc1ccc(F)c(Br)c1)c1cccc2ccccc12
InChIInChI=1S/C18H14BrFO/c19-16-10-12(8-9-17(16)20)11-18(21)15-7-3-5-13-4-1-2-6-14(13)15/h1-10,18,21H,11H2
InChIKeyJNFLMOJXVBXQGA-UHFFFAOYSA-N
MW345.21 g/mol
LogP5.02
Rot. Bonds3

About 2-(3-bromo-4-fluorophenyl)-1-naphthalen-1-ylethanol

2-(3-bromo-4-fluorophenyl)-1-naphthalen-1-ylethanol (PubChem CID 63410648) has the molecular formula C18H14BrFO and a molecular weight of 345.21 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-naphthalen-1-ylethanol.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-naphthalen-1-ylethanol
PubChem CID63410648
Molecular FormulaC18H14BrFO
Molecular Weight345.21 g/mol
Exact Mass344.02
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-naphthalen-1-ylethanol
SMILESOC(Cc1ccc(F)c(Br)c1)c1cccc2ccccc12
InChIInChI=1S/C18H14BrFO/c19-16-10-12(8-9-17(16)20)11-18(21)15-7-3-5-13-4-1-2-6-14(13)15/h1-10,18,21H,11H2
InChIKeyJNFLMOJXVBXQGA-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

1-(2-bromo-3,4-difluorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol
CID 107538257
2-(2,5-difluorophenyl)-1-naphthalen-1-ylethanol
CID 62716051
(5-bromo-2-fluorophenyl)-naphthalen-1-ylmethanol
CID 63894699
2-(3-bromo-4-fluorophenyl)-1-naphthalen-2-ylethanamine
CID 63416624
2-(3-bromo-4-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanamine
CID 115819033
(1S)-1-naphthalen-1-ylpropane-1,3-diol
CID 154706330
2-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]-1-fluorobenzene
CID 79454780
1-(3-bromo-4-fluorophenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol
CID 66145409
2-(3-bromo-4-methoxyphenyl)-1-(2-chloro-3-fluorophenyl)ethanol
CID 115779483
2-(3-chloro-4-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 103038949
2-(3-bromo-4-fluorophenyl)-1-quinolin-2-ylethanamine
CID 63222850
1-(4-bromo-3-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol
CID 115779651

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-naphthalen-1-ylethanol?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-naphthalen-1-ylethanol (CID 63410648) is 2-(3-bromo-4-fluorophenyl)-1-naphthalen-1-ylethanol.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-naphthalen-1-ylethanol?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-naphthalen-1-ylethanol is OC(Cc1ccc(F)c(Br)c1)c1cccc2ccccc12.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-naphthalen-1-ylethanol?
The InChIKey is JNFLMOJXVBXQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrFO/c19-16-10-12(8-9-17(16)20)11-18(21)15-7-3-5-13-4-1-2-6-14(13)15/h1-10,18,21H,11H2.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-naphthalen-1-ylethanol?
2-(3-bromo-4-fluorophenyl)-1-naphthalen-1-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-(3-bromo-4-fluorophenyl)-1-naphthalen-1-ylethanol is sourced from PubChem (CID 63410648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).