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

C17H24O3 — CID 61087143

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CC2CC3CCC2C3)c(OC)c1
InChIInChI=1S/C17H24O3/c1-19-14-5-6-15(17(10-14)20-2)16(18)9-13-8-11-3-4-12(13)7-11/h5-6,10-13,16,18H,3-4,7-9H2,1-2H3
InChIKeyOGQNCJIDNQQNIW-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.56
Rot. Bonds5

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

2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4-dimethoxyphenyl)ethanol (PubChem CID 61087143) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4-dimethoxyphenyl)ethanol
PubChem CID61087143
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CC2CC3CCC2C3)c(OC)c1
InChIInChI=1S/C17H24O3/c1-19-14-5-6-15(17(10-14)20-2)16(18)9-13-8-11-3-4-12(13)7-11/h5-6,10-13,16,18H,3-4,7-9H2,1-2H3
InChIKeyOGQNCJIDNQQNIW-UHFFFAOYSA-N
XLogP3.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 106790580
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-2-methoxyphenyl)ethanol
CID 115821259
2-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-2-methoxyphenyl)ethanol
CID 63428493
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-chloro-3,4-dimethoxyphenyl)ethanol
CID 79561405
2-[2-bromo-2-(4-methoxy-2-methylphenyl)ethyl]bicyclo[2.2.1]heptane
CID 55198185
2-[2-bromo-2-(2-fluoro-4-methoxyphenyl)ethyl]bicyclo[2.2.1]heptane
CID 63443197
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dimethoxyphenyl)ethanol
CID 61101402
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-difluoro-4-methoxyphenyl)ethanol
CID 61099271
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,5-trimethylphenyl)ethanol
CID 115807086
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-chloro-6-methoxyphenyl)ethanol
CID 104817177
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 115836851
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 18556175

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4-dimethoxyphenyl)ethanol?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4-dimethoxyphenyl)ethanol (CID 61087143) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4-dimethoxyphenyl)ethanol is COc1ccc(C(O)CC2CC3CCC2C3)c(OC)c1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4-dimethoxyphenyl)ethanol?
The InChIKey is OGQNCJIDNQQNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-19-14-5-6-15(17(10-14)20-2)16(18)9-13-8-11-3-4-12(13)7-11/h5-6,10-13,16,18H,3-4,7-9H2,1-2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4-dimethoxyphenyl)ethanol?
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4-dimethoxyphenyl)ethanol has a molecular weight of 276.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4-dimethoxyphenyl)ethanol is sourced from PubChem (CID 61087143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).