2-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethanol

C15H20O3 — CID 117373858

IUPAC2-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethanol
SMILESCOc1cc(CCO)c(OC)c2c1C1CCC2C1
InChIInChI=1S/C15H20O3/c1-17-12-8-11(5-6-16)15(18-2)14-10-4-3-9(7-10)13(12)14/h8-10,16H,3-7H2,1-2H3
InChIKeyANQGVOSUQIYHON-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.60
Rot. Bonds4

About 2-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethanol

2-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethanol (PubChem CID 117373858) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethanol.

Molecular Properties

Compound Name2-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethanol
PubChem CID117373858
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethanol
SMILESCOc1cc(CCO)c(OC)c2c1C1CCC2C1
InChIInChI=1S/C15H20O3/c1-17-12-8-11(5-6-16)15(18-2)14-10-4-3-9(7-10)13(12)14/h8-10,16H,3-7H2,1-2H3
InChIKeyANQGVOSUQIYHON-UHFFFAOYSA-N
XLogP2.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)propan-2-ol
CID 117410596
2-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)acetonitrile
CID 117360041
4-(isocyanatomethyl)-3,6-dimethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 117401814
2-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-2-oxoacetic acid
CID 117442186
3-amino-2-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)propanoic acid
CID 117470596
4-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-4-oxobutanoic acid;zinc
CID 67884422
[1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)cyclopentyl]methanamine
CID 117485715
2-[3-(azetidin-3-yl)-5-chloro-2-methoxy-4-methylphenyl]ethanol
CID 89422261
2-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)ethanol
CID 142077480
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)ethanol
CID 117447344
2-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)ethanol
CID 117363854
4-(2,5-dimethoxy-3,4-dimethylphenyl)butan-1-ol
CID 116926714

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethanol?
The IUPAC name of 2-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethanol (CID 117373858) is 2-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethanol.
What is the SMILES notation for 2-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethanol?
The canonical SMILES for 2-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethanol is COc1cc(CCO)c(OC)c2c1C1CCC2C1.
What is the InChIKey of 2-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethanol?
The InChIKey is ANQGVOSUQIYHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-17-12-8-11(5-6-16)15(18-2)14-10-4-3-9(7-10)13(12)14/h8-10,16H,3-7H2,1-2H3.
What are the key properties of 2-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethanol?
2-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethanol has a molecular weight of 248.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethanol is sourced from PubChem (CID 117373858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).