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

C16H21ClO — CID 121456482

IUPAC1-(2-bicyclo[2.2.2]octanyl)-2-(4-chlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)cc1)C1CC2CCC1CC2
InChIInChI=1S/C16H21ClO/c17-14-7-3-12(4-8-14)10-16(18)15-9-11-1-5-13(15)6-2-11/h3-4,7-8,11,13,15-16,18H,1-2,5-6,9-10H2
InChIKeyDLZSXMVKAYOITC-UHFFFAOYSA-N
MW264.80 g/mol
LogP4.07
Rot. Bonds3

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

1-(2-bicyclo[2.2.2]octanyl)-2-(4-chlorophenyl)ethanol (PubChem CID 121456482) has the molecular formula C16H21ClO and a molecular weight of 264.80 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.2]octanyl)-2-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.2]octanyl)-2-(4-chlorophenyl)ethanol
PubChem CID121456482
Molecular FormulaC16H21ClO
Molecular Weight264.80 g/mol
Exact Mass264.13
IUPAC Name1-(2-bicyclo[2.2.2]octanyl)-2-(4-chlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)cc1)C1CC2CCC1CC2
InChIInChI=1S/C16H21ClO/c17-14-7-3-12(4-8-14)10-16(18)15-9-11-1-5-13(15)6-2-11/h3-4,7-8,11,13,15-16,18H,1-2,5-6,9-10H2
InChIKeyDLZSXMVKAYOITC-UHFFFAOYSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-2-(3,4-dimethylphenyl)ethanol
CID 63017843
1-(2-bicyclo[2.2.2]octanyl)propan-1-ol
CID 130126580
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)ethanol
CID 63017529
2-(4-chlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol
CID 107003081
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloro-5-fluorophenyl)ethanol
CID 102618237
1,3-bis(4-chlorophenyl)propan-2-ol
CID 19824078
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-chlorophenyl)acetamide
CID 129376608
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-chlorophenyl)acetamide
CID 129376605
2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
CID 79658825
1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 60797754
(2S)-3-chloro-4-(4-chlorophenyl)butan-2-ol
CID 131029128
1-(4-chlorophenyl)-3-cyclobutylpropan-2-ol
CID 65457870

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.2]octanyl)-2-(4-chlorophenyl)ethanol?
The IUPAC name of 1-(2-bicyclo[2.2.2]octanyl)-2-(4-chlorophenyl)ethanol (CID 121456482) is 1-(2-bicyclo[2.2.2]octanyl)-2-(4-chlorophenyl)ethanol.
What is the SMILES notation for 1-(2-bicyclo[2.2.2]octanyl)-2-(4-chlorophenyl)ethanol?
The canonical SMILES for 1-(2-bicyclo[2.2.2]octanyl)-2-(4-chlorophenyl)ethanol is OC(Cc1ccc(Cl)cc1)C1CC2CCC1CC2.
What is the InChIKey of 1-(2-bicyclo[2.2.2]octanyl)-2-(4-chlorophenyl)ethanol?
The InChIKey is DLZSXMVKAYOITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO/c17-14-7-3-12(4-8-14)10-16(18)15-9-11-1-5-13(15)6-2-11/h3-4,7-8,11,13,15-16,18H,1-2,5-6,9-10H2.
What are the key properties of 1-(2-bicyclo[2.2.2]octanyl)-2-(4-chlorophenyl)ethanol?
1-(2-bicyclo[2.2.2]octanyl)-2-(4-chlorophenyl)ethanol has a molecular weight of 264.80 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.2]octanyl)-2-(4-chlorophenyl)ethanol is sourced from PubChem (CID 121456482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).