1-(2-bicyclo[2.2.1]heptanyl)-2-(3,4-dimethylphenyl)ethanol

C17H24O — CID 63017843

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-2-(3,4-dimethylphenyl)ethanol
SMILESCc1ccc(CC(O)C2CC3CCC2C3)cc1C
InChIInChI=1S/C17H24O/c1-11-3-4-13(7-12(11)2)10-17(18)16-9-14-5-6-15(16)8-14/h3-4,7,14-18H,5-6,8-10H2,1-2H3
InChIKeyVENDGQNSKUGPDC-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.64
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]heptanyl)-2-(3,4-dimethylphenyl)ethanol

1-(2-bicyclo[2.2.1]heptanyl)-2-(3,4-dimethylphenyl)ethanol (PubChem CID 63017843) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-2-(3,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-2-(3,4-dimethylphenyl)ethanol
PubChem CID63017843
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-2-(3,4-dimethylphenyl)ethanol
SMILESCc1ccc(CC(O)C2CC3CCC2C3)cc1C
InChIInChI=1S/C17H24O/c1-11-3-4-13(7-12(11)2)10-17(18)16-9-14-5-6-15(16)8-14/h3-4,7,14-18H,5-6,8-10H2,1-2H3
InChIKeyVENDGQNSKUGPDC-UHFFFAOYSA-N
XLogP3.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-2-(3,4-dimethylphenyl)ethanol with MolForge

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Related Compounds

2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanol
CID 63410724
1-(2-bicyclo[2.2.2]octanyl)-2-(4-chlorophenyl)ethanol
CID 121456482
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloro-5-fluorophenyl)ethanol
CID 102618237
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)ethanol
CID 63017529
1-(2-adamantyl)-2-(3,4-dimethylphenyl)ethanamine
CID 81099428
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(3,4-dimethylphenyl)propanamide
CID 125057199
2-bicyclo[2.2.1]heptanyl-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484426
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61365937
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 46559225
4-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1,2-dimethylbenzene
CID 63543771
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19450842
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63527764

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-(3,4-dimethylphenyl)ethanol?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-(3,4-dimethylphenyl)ethanol (CID 63017843) is 1-(2-bicyclo[2.2.1]heptanyl)-2-(3,4-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-2-(3,4-dimethylphenyl)ethanol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-2-(3,4-dimethylphenyl)ethanol is Cc1ccc(CC(O)C2CC3CCC2C3)cc1C.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-2-(3,4-dimethylphenyl)ethanol?
The InChIKey is VENDGQNSKUGPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-11-3-4-13(7-12(11)2)10-17(18)16-9-14-5-6-15(16)8-14/h3-4,7,14-18H,5-6,8-10H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-2-(3,4-dimethylphenyl)ethanol?
1-(2-bicyclo[2.2.1]heptanyl)-2-(3,4-dimethylphenyl)ethanol has a molecular weight of 244.38 g/mol, XLogP of 3.64, 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-(3,4-dimethylphenyl)ethanol is sourced from PubChem (CID 63017843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).