1-(6-bromonaphthalen-2-yl)-2-(4-fluorophenyl)ethanol

C18H14BrFO — CID 115354460

IUPAC1-(6-bromonaphthalen-2-yl)-2-(4-fluorophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H14BrFO/c19-16-6-5-13-10-15(4-3-14(13)11-16)18(21)9-12-1-7-17(20)8-2-12/h1-8,10-11,18,21H,9H2
InChIKeyCLQRDXSNSFIDKO-UHFFFAOYSA-N
MW345.21 g/mol
LogP5.02
Rot. Bonds3

About 1-(6-bromonaphthalen-2-yl)-2-(4-fluorophenyl)ethanol

1-(6-bromonaphthalen-2-yl)-2-(4-fluorophenyl)ethanol (PubChem CID 115354460) has the molecular formula C18H14BrFO and a molecular weight of 345.21 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-2-(4-fluorophenyl)ethanol
PubChem CID115354460
Molecular FormulaC18H14BrFO
Molecular Weight345.21 g/mol
Exact Mass344.02
IUPAC Name1-(6-bromonaphthalen-2-yl)-2-(4-fluorophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H14BrFO/c19-16-6-5-13-10-15(4-3-14(13)11-16)18(21)9-12-1-7-17(20)8-2-12/h1-8,10-11,18,21H,9H2
InChIKeyCLQRDXSNSFIDKO-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-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethanol
CID 107947257
1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanol
CID 55150652
2-[1-bromo-2-(4-fluorophenyl)ethyl]naphthalene
CID 63542085
1-naphthalen-2-yl-2-phenylethanol
CID 2793947
1-bromo-4-[1-fluoro-2-(4-fluorophenyl)ethyl]benzene
CID 154714701
3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 79438156
1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol
CID 60797865
(1R)-2-(4-fluorophenyl)-1-phenylethanol
CID 93312313
1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanol
CID 60918138
1-(6-bromonaphthalen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol
CID 115354635
1-(5-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 65148286
2-(2,5-difluorophenyl)-1-naphthalen-2-ylethanol
CID 62716910

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)-2-(4-fluorophenyl)ethanol?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-2-(4-fluorophenyl)ethanol (CID 115354460) is 1-(6-bromonaphthalen-2-yl)-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-2-(4-fluorophenyl)ethanol?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-2-(4-fluorophenyl)ethanol is OC(Cc1ccc(F)cc1)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-2-(4-fluorophenyl)ethanol?
The InChIKey is CLQRDXSNSFIDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrFO/c19-16-6-5-13-10-15(4-3-14(13)11-16)18(21)9-12-1-7-17(20)8-2-12/h1-8,10-11,18,21H,9H2.
What are the key properties of 1-(6-bromonaphthalen-2-yl)-2-(4-fluorophenyl)ethanol?
1-(6-bromonaphthalen-2-yl)-2-(4-fluorophenyl)ethanol 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 1-(6-bromonaphthalen-2-yl)-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 115354460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).