(1R)-1-[(2R)-2-bicyclo[2.2.2]octanyl]-1-(4-chlorophenyl)ethanol

C16H21ClO — CID 129353905

IUPAC(1R)-1-[(2R)-2-bicyclo[2.2.2]octanyl]-1-(4-chlorophenyl)ethanol
SMILESC[C@](O)(c1ccc(Cl)cc1)[C@@H]1CC2CCC1CC2
InChIInChI=1S/C16H21ClO/c1-16(18,13-6-8-14(17)9-7-13)15-10-11-2-4-12(15)5-3-11/h6-9,11-12,15,18H,2-5,10H2,1H3/t11?,12?,15-,16+/m1/s1
InChIKeyLZYHWDQGLJJUBG-TUHYSUIHSA-N
MW264.80 g/mol
LogP4.37
Rot. Bonds2

About (1R)-1-[(2R)-2-bicyclo[2.2.2]octanyl]-1-(4-chlorophenyl)ethanol

(1R)-1-[(2R)-2-bicyclo[2.2.2]octanyl]-1-(4-chlorophenyl)ethanol (PubChem CID 129353905) has the molecular formula C16H21ClO and a molecular weight of 264.80 g/mol. Its IUPAC name is (1R)-1-[(2R)-2-bicyclo[2.2.2]octanyl]-1-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-[(2R)-2-bicyclo[2.2.2]octanyl]-1-(4-chlorophenyl)ethanol
PubChem CID129353905
Molecular FormulaC16H21ClO
Molecular Weight264.80 g/mol
Exact Mass264.13
IUPAC Name(1R)-1-[(2R)-2-bicyclo[2.2.2]octanyl]-1-(4-chlorophenyl)ethanol
SMILESC[C@](O)(c1ccc(Cl)cc1)[C@@H]1CC2CCC1CC2
InChIInChI=1S/C16H21ClO/c1-16(18,13-6-8-14(17)9-7-13)15-10-11-2-4-12(15)5-3-11/h6-9,11-12,15,18H,2-5,10H2,1H3/t11?,12?,15-,16+/m1/s1
InChIKeyLZYHWDQGLJJUBG-TUHYSUIHSA-N
XLogP4.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R)-2-bicyclo[2.2.2]octanyl]-1-(4-chlorophenyl)ethanol?
The IUPAC name of (1R)-1-[(2R)-2-bicyclo[2.2.2]octanyl]-1-(4-chlorophenyl)ethanol (CID 129353905) is (1R)-1-[(2R)-2-bicyclo[2.2.2]octanyl]-1-(4-chlorophenyl)ethanol.
What is the SMILES notation for (1R)-1-[(2R)-2-bicyclo[2.2.2]octanyl]-1-(4-chlorophenyl)ethanol?
The canonical SMILES for (1R)-1-[(2R)-2-bicyclo[2.2.2]octanyl]-1-(4-chlorophenyl)ethanol is C[C@](O)(c1ccc(Cl)cc1)[C@@H]1CC2CCC1CC2.
What is the InChIKey of (1R)-1-[(2R)-2-bicyclo[2.2.2]octanyl]-1-(4-chlorophenyl)ethanol?
The InChIKey is LZYHWDQGLJJUBG-TUHYSUIHSA-N. The full InChI is InChI=1S/C16H21ClO/c1-16(18,13-6-8-14(17)9-7-13)15-10-11-2-4-12(15)5-3-11/h6-9,11-12,15,18H,2-5,10H2,1H3/t11?,12?,15-,16+/m1/s1.
What are the key properties of (1R)-1-[(2R)-2-bicyclo[2.2.2]octanyl]-1-(4-chlorophenyl)ethanol?
(1R)-1-[(2R)-2-bicyclo[2.2.2]octanyl]-1-(4-chlorophenyl)ethanol has a molecular weight of 264.80 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R)-2-bicyclo[2.2.2]octanyl]-1-(4-chlorophenyl)ethanol is sourced from PubChem (CID 129353905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).