1-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)ethanol

C17H24O2 — CID 129179833

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)ethanol
SMILESCCOc1ccc(C(C)(O)C2CC3CCC2C3)cc1
InChIInChI=1S/C17H24O2/c1-3-19-15-8-6-14(7-9-15)17(2,18)16-11-12-4-5-13(16)10-12/h6-9,12-13,16,18H,3-5,10-11H2,1-2H3
InChIKeyZDKLMHCBPQTRGY-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.73
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)ethanol

1-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)ethanol (PubChem CID 129179833) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)ethanol
PubChem CID129179833
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)ethanol
SMILESCCOc1ccc(C(C)(O)C2CC3CCC2C3)cc1
InChIInChI=1S/C17H24O2/c1-3-19-15-8-6-14(7-9-15)17(2,18)16-11-12-4-5-13(16)10-12/h6-9,12-13,16,18H,3-5,10-11H2,1-2H3
InChIKeyZDKLMHCBPQTRGY-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)ethanol with MolForge

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Related Compounds

CID 140788802
CID 140788802
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-ethoxybenzamide
CID 98736172
(1R,2R,4S)-N-(4-ethoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 839866
(1S,2S,4S)-N-(4-ethoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7101788
2-(2-bicyclo[2.2.1]heptanyl)-2-phenylbutan-1-ol
CID 114246918
N-[1-(4-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51292830
2-[2-chloro-2-(4-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane
CID 55199641
3-(4-ethoxyphenyl)pentan-3-ol
CID 62788135
(2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol
CID 94601213
N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxybenzenesulfonamide
CID 4297774
1-(2-bicyclo[2.2.1]heptanyl)-3-[(4-ethoxyphenyl)methylideneamino]thiourea
CID 2803409
N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(4-ethoxyphenyl)oxamide
CID 108514526

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)ethanol?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)ethanol (CID 129179833) is 1-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)ethanol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)ethanol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)ethanol is CCOc1ccc(C(C)(O)C2CC3CCC2C3)cc1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)ethanol?
The InChIKey is ZDKLMHCBPQTRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-3-19-15-8-6-14(7-9-15)17(2,18)16-11-12-4-5-13(16)10-12/h6-9,12-13,16,18H,3-5,10-11H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)ethanol?
1-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)ethanol has a molecular weight of 260.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)ethanol is sourced from PubChem (CID 129179833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).