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

C18H14ClFO — CID 102617231

IUPAC2-(2-chloro-5-fluorophenyl)-1-naphthalen-1-ylethanol
SMILESOC(Cc1cc(F)ccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C18H14ClFO/c19-17-9-8-14(20)10-13(17)11-18(21)16-7-3-5-12-4-1-2-6-15(12)16/h1-10,18,21H,11H2
InChIKeyLWPSKLXPNJBTIR-UHFFFAOYSA-N
MW300.76 g/mol
LogP4.91
Rot. Bonds3

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

2-(2-chloro-5-fluorophenyl)-1-naphthalen-1-ylethanol (PubChem CID 102617231) has the molecular formula C18H14ClFO and a molecular weight of 300.76 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-naphthalen-1-ylethanol.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-naphthalen-1-ylethanol
PubChem CID102617231
Molecular FormulaC18H14ClFO
Molecular Weight300.76 g/mol
Exact Mass300.07
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-naphthalen-1-ylethanol
SMILESOC(Cc1cc(F)ccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C18H14ClFO/c19-17-9-8-14(20)10-13(17)11-18(21)16-7-3-5-12-4-1-2-6-15(12)16/h1-10,18,21H,11H2
InChIKeyLWPSKLXPNJBTIR-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-(2,5-difluorophenyl)-1-naphthalen-1-ylethanol
CID 62716051
1-(2-chloro-5-fluorophenyl)-2-naphthalen-1-ylethanol
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1-(2-chlorophenyl)-2-(2,5-difluorophenyl)ethanol
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2-(2-chloro-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
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1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanol
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2-(2-chloro-5-fluorophenyl)-1-(2,4-dibromophenyl)ethanol
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2-(2-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethanamine
CID 102618794
1-(3-chloro-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 107103532
1-(4-fluoro-2-methylphenyl)-2-naphthalen-1-ylethanol
CID 65149639
2-(2-chloro-5-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
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(1R)-1,2-bis(2-chlorophenyl)ethanol
CID 86310638

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-naphthalen-1-ylethanol?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-naphthalen-1-ylethanol (CID 102617231) is 2-(2-chloro-5-fluorophenyl)-1-naphthalen-1-ylethanol.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-naphthalen-1-ylethanol?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-naphthalen-1-ylethanol is OC(Cc1cc(F)ccc1Cl)c1cccc2ccccc12.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-naphthalen-1-ylethanol?
The InChIKey is LWPSKLXPNJBTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFO/c19-17-9-8-14(20)10-13(17)11-18(21)16-7-3-5-12-4-1-2-6-15(12)16/h1-10,18,21H,11H2.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-naphthalen-1-ylethanol?
2-(2-chloro-5-fluorophenyl)-1-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 2-(2-chloro-5-fluorophenyl)-1-naphthalen-1-ylethanol is sourced from PubChem (CID 102617231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).