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

C18H18ClFO — CID 103039582

IUPAC2-(3-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
SMILESOC(Cc1ccc(F)c(Cl)c1)C1CCCc2ccccc21
InChIInChI=1S/C18H18ClFO/c19-16-10-12(8-9-17(16)20)11-18(21)15-7-3-5-13-4-1-2-6-14(13)15/h1-2,4,6,8-10,15,18,21H,3,5,7,11H2
InChIKeyRBRWLQPUARNSEA-UHFFFAOYSA-N
MW304.79 g/mol
LogP4.50
Rot. Bonds3

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

2-(3-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol (PubChem CID 103039582) has the molecular formula C18H18ClFO and a molecular weight of 304.79 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
PubChem CID103039582
Molecular FormulaC18H18ClFO
Molecular Weight304.79 g/mol
Exact Mass304.10
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
SMILESOC(Cc1ccc(F)c(Cl)c1)C1CCCc2ccccc21
InChIInChI=1S/C18H18ClFO/c19-16-10-12(8-9-17(16)20)11-18(21)15-7-3-5-13-4-1-2-6-14(13)15/h1-2,4,6,8-10,15,18,21H,3,5,7,11H2
InChIKeyRBRWLQPUARNSEA-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chlorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63247324
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103040066
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63772616
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-bromo-4-fluorophenyl)ethanol
CID 64986319
2-cyclopropyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 64906726
2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone
CID 103039403
(2-chloro-4,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 107476058
N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 62537600
2-(2,4-difluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanol
CID 65410003
1-(3-chloro-4-fluorophenyl)-4-cyclopentylbutan-2-ol
CID 103043661
2-(3-chloro-4-fluorophenyl)-1-(oxolan-3-yl)ethanol
CID 103038984
2-(3-chloro-4-fluorophenyl)-1-(4-propylcyclohexyl)ethanol
CID 103039609

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol (CID 103039582) is 2-(3-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol is OC(Cc1ccc(F)c(Cl)c1)C1CCCc2ccccc21.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol?
The InChIKey is RBRWLQPUARNSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFO/c19-16-10-12(8-9-17(16)20)11-18(21)15-7-3-5-13-4-1-2-6-14(13)15/h1-2,4,6,8-10,15,18,21H,3,5,7,11H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol?
2-(3-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol has a molecular weight of 304.79 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol is sourced from PubChem (CID 103039582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).