1-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloro-5-fluorophenyl)ethanol

C15H18ClFO — CID 102618237

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloro-5-fluorophenyl)ethanol
SMILESOC(Cc1cc(F)ccc1Cl)C1CC2CCC1C2
InChIInChI=1S/C15H18ClFO/c16-14-4-3-12(17)7-11(14)8-15(18)13-6-9-1-2-10(13)5-9/h3-4,7,9-10,13,15,18H,1-2,5-6,8H2
InChIKeyNSCLNISKTFQCST-UHFFFAOYSA-N
MW268.76 g/mol
LogP3.82
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloro-5-fluorophenyl)ethanol

1-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloro-5-fluorophenyl)ethanol (PubChem CID 102618237) has the molecular formula C15H18ClFO and a molecular weight of 268.76 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloro-5-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloro-5-fluorophenyl)ethanol
PubChem CID102618237
Molecular FormulaC15H18ClFO
Molecular Weight268.76 g/mol
Exact Mass268.10
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloro-5-fluorophenyl)ethanol
SMILESOC(Cc1cc(F)ccc1Cl)C1CC2CCC1C2
InChIInChI=1S/C15H18ClFO/c16-14-4-3-12(17)7-11(14)8-15(18)13-6-9-1-2-10(13)5-9/h3-4,7,9-10,13,15,18H,1-2,5-6,8H2
InChIKeyNSCLNISKTFQCST-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.76
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)ethanol
CID 63017529
2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 102623125
2-(2-chloro-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 102618021
1-(2-bicyclo[2.2.1]heptanyl)-2-(3,4-dimethylphenyl)ethanol
CID 63017843
1-(2-chloro-5-fluorophenyl)-3-cycloheptylpropan-2-ol
CID 102623074
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43312604
3-(2-chloro-5-fluorophenyl)-1,1-difluoropropan-2-ol
CID 102618230
1-(2-adamantyl)-2-(2,5-dichlorophenyl)ethanol
CID 115801925
1-(2-bicyclo[2.2.2]octanyl)-2-(4-chlorophenyl)ethanol
CID 121456482
2-(2-chloro-5-fluorophenyl)-1-(1-methylcyclohexyl)ethanol
CID 106831059
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-bromo-5-fluorophenyl)methyl]ethanamine
CID 43100719
2-[1-bromo-3-(3-fluorophenyl)propan-2-yl]bicyclo[2.2.1]heptane
CID 114246964

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloro-5-fluorophenyl)ethanol?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloro-5-fluorophenyl)ethanol (CID 102618237) is 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloro-5-fluorophenyl)ethanol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloro-5-fluorophenyl)ethanol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloro-5-fluorophenyl)ethanol is OC(Cc1cc(F)ccc1Cl)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloro-5-fluorophenyl)ethanol?
The InChIKey is NSCLNISKTFQCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFO/c16-14-4-3-12(17)7-11(14)8-15(18)13-6-9-1-2-10(13)5-9/h3-4,7,9-10,13,15,18H,1-2,5-6,8H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloro-5-fluorophenyl)ethanol?
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloro-5-fluorophenyl)ethanol has a molecular weight of 268.76 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloro-5-fluorophenyl)ethanol is sourced from PubChem (CID 102618237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).