2-(2,5-dichlorophenyl)-1-naphthalen-2-ylethanol

C18H14Cl2O — CID 65317190

IUPAC2-(2,5-dichlorophenyl)-1-naphthalen-2-ylethanol
SMILESOC(Cc1cc(Cl)ccc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C18H14Cl2O/c19-16-7-8-17(20)15(10-16)11-18(21)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,18,21H,11H2
InChIKeyKLCYCVMRIRJRMA-UHFFFAOYSA-N
MW317.22 g/mol
LogP5.42
Rot. Bonds3

About 2-(2,5-dichlorophenyl)-1-naphthalen-2-ylethanol

2-(2,5-dichlorophenyl)-1-naphthalen-2-ylethanol (PubChem CID 65317190) has the molecular formula C18H14Cl2O and a molecular weight of 317.22 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-naphthalen-2-ylethanol
PubChem CID65317190
Molecular FormulaC18H14Cl2O
Molecular Weight317.22 g/mol
Exact Mass316.04
IUPAC Name2-(2,5-dichlorophenyl)-1-naphthalen-2-ylethanol
SMILESOC(Cc1cc(Cl)ccc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C18H14Cl2O/c19-16-7-8-17(20)15(10-16)11-18(21)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,18,21H,11H2
InChIKeyKLCYCVMRIRJRMA-UHFFFAOYSA-N
XLogP5.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.22
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chlorophenyl)-1-naphthalen-2-ylethanol
CID 62715892
1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 65316618
1-(3-bromo-4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115566546
2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)ethanol
CID 65316811
2-(2,5-dichlorophenyl)-1-(4-methylphenyl)ethanol
CID 65316953
2-(2,5-dichlorophenyl)-1-(4-iodophenyl)ethanol
CID 115802046
2-(2,5-difluorophenyl)-1-naphthalen-2-ylethanol
CID 62716910
1-naphthalen-2-yl-2-phenylethanol
CID 2793947
2-(2,5-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 65317239
2-(2,5-dichlorophenyl)-1-pyridazin-4-ylethanol
CID 105100348
2-(5-chloro-2-fluorophenyl)-1-quinolin-6-ylethanol
CID 103047629
(1S)-1-naphthalen-2-ylbutane-1,4-diol
CID 163077127

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-naphthalen-2-ylethanol?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-naphthalen-2-ylethanol (CID 65317190) is 2-(2,5-dichlorophenyl)-1-naphthalen-2-ylethanol.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-naphthalen-2-ylethanol?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-naphthalen-2-ylethanol is OC(Cc1cc(Cl)ccc1Cl)c1ccc2ccccc2c1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-naphthalen-2-ylethanol?
The InChIKey is KLCYCVMRIRJRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2O/c19-16-7-8-17(20)15(10-16)11-18(21)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,18,21H,11H2.
What are the key properties of 2-(2,5-dichlorophenyl)-1-naphthalen-2-ylethanol?
2-(2,5-dichlorophenyl)-1-naphthalen-2-ylethanol has a molecular weight of 317.22 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-1-naphthalen-2-ylethanol is sourced from PubChem (CID 65317190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).