2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol

C18H18ClFO — CID 103048254

IUPAC2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
SMILESOC(Cc1cc(Cl)ccc1F)C1CCc2ccccc2C1
InChIInChI=1S/C18H18ClFO/c19-16-7-8-17(20)15(10-16)11-18(21)14-6-5-12-3-1-2-4-13(12)9-14/h1-4,7-8,10,14,18,21H,5-6,9,11H2
InChIKeyTVLYIFVOIJBGDN-UHFFFAOYSA-N
MW304.79 g/mol
LogP4.19
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol

2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol (PubChem CID 103048254) has the molecular formula C18H18ClFO and a molecular weight of 304.79 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
PubChem CID103048254
Molecular FormulaC18H18ClFO
Molecular Weight304.79 g/mol
Exact Mass304.10
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
SMILESOC(Cc1cc(Cl)ccc1F)C1CCc2ccccc2C1
InChIInChI=1S/C18H18ClFO/c19-16-7-8-17(20)15(10-16)11-18(21)14-6-5-12-3-1-2-4-13(12)9-14/h1-4,7-8,10,14,18,21H,5-6,9,11H2
InChIKeyTVLYIFVOIJBGDN-UHFFFAOYSA-N
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.79
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol
CID 103048252
2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
CID 65410795
2-(4-bromo-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
CID 65411188
2-(2,5-dichlorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol
CID 65411173
2-(4-fluoro-2-methylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
CID 114347478
[2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethyl]hydrazine
CID 103053611
2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
CID 65409816
2-(2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65404776
2-(2-chlorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol
CID 65411952
1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trifluorophenyl)methanol
CID 107127371
2-(4-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 114854696
3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-ol
CID 82920523

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol (CID 103048254) is 2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol is OC(Cc1cc(Cl)ccc1F)C1CCc2ccccc2C1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol?
The InChIKey is TVLYIFVOIJBGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFO/c19-16-7-8-17(20)15(10-16)11-18(21)14-6-5-12-3-1-2-4-13(12)9-14/h1-4,7-8,10,14,18,21H,5-6,9,11H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol?
2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol has a molecular weight of 304.79 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol is sourced from PubChem (CID 103048254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).