1-(2-chloro-5-fluorophenyl)-2-naphthalen-1-ylethanol

C18H14ClFO — CID 105397651

IUPAC1-(2-chloro-5-fluorophenyl)-2-naphthalen-1-ylethanol
SMILESOC(Cc1cccc2ccccc12)c1cc(F)ccc1Cl
InChIInChI=1S/C18H14ClFO/c19-17-9-8-14(20)11-16(17)18(21)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11,18,21H,10H2
InChIKeyZJAVECAYGPUUHB-UHFFFAOYSA-N
MW300.76 g/mol
LogP4.91
Rot. Bonds3

About 1-(2-chloro-5-fluorophenyl)-2-naphthalen-1-ylethanol

1-(2-chloro-5-fluorophenyl)-2-naphthalen-1-ylethanol (PubChem CID 105397651) has the molecular formula C18H14ClFO and a molecular weight of 300.76 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-naphthalen-1-ylethanol.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-naphthalen-1-ylethanol
PubChem CID105397651
Molecular FormulaC18H14ClFO
Molecular Weight300.76 g/mol
Exact Mass300.07
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-naphthalen-1-ylethanol
SMILESOC(Cc1cccc2ccccc12)c1cc(F)ccc1Cl
InChIInChI=1S/C18H14ClFO/c19-17-9-8-14(20)11-16(17)18(21)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11,18,21H,10H2
InChIKeyZJAVECAYGPUUHB-UHFFFAOYSA-N
XLogP4.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-5-fluorophenyl)-1-naphthalen-1-ylethanol
CID 102617231
1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)ethanol
CID 105394441
1-(4-fluoro-2-methylphenyl)-2-naphthalen-1-ylethanol
CID 65149639
1-(2,5-dichlorophenyl)-2-(2-fluorophenyl)ethanol
CID 61082200
2-(2,5-difluorophenyl)-1-naphthalen-1-ylethanol
CID 62716051
1-(2,5-dichlorothiophen-3-yl)-2-naphthalen-1-ylethanol
CID 107965715
1-(2-bromo-5-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102867515
1-(2-chlorophenyl)-2-(2,5-difluorophenyl)ethanol
CID 62099435
2-(2,3-dichlorophenyl)-1-(2,4-difluorophenyl)ethanol
CID 107307451
2-amino-1-(2-chloro-5-fluorophenyl)ethanol
CID 82404297
1-(2-chloro-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 105397725
1-(2-chloro-5-fluorophenyl)propan-1-ol
CID 105393866

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-naphthalen-1-ylethanol?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-naphthalen-1-ylethanol (CID 105397651) is 1-(2-chloro-5-fluorophenyl)-2-naphthalen-1-ylethanol.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-naphthalen-1-ylethanol?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-naphthalen-1-ylethanol is OC(Cc1cccc2ccccc12)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-naphthalen-1-ylethanol?
The InChIKey is ZJAVECAYGPUUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFO/c19-17-9-8-14(20)11-16(17)18(21)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11,18,21H,10H2.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-naphthalen-1-ylethanol?
1-(2-chloro-5-fluorophenyl)-2-naphthalen-1-ylethanol has a molecular weight of 300.76 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-2-naphthalen-1-ylethanol is sourced from PubChem (CID 105397651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).