1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)propan-2-ol

C16H22O3 — CID 117410596

IUPAC1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)propan-2-ol
SMILESCOc1cc(CC(C)O)c(OC)c2c1C1CCC2C1
InChIInChI=1S/C16H22O3/c1-9(17)6-12-8-13(18-2)14-10-4-5-11(7-10)15(14)16(12)19-3/h8-11,17H,4-7H2,1-3H3
InChIKeyXCKXKEIXABDCCP-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.99
Rot. Bonds4

About 1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)propan-2-ol

1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)propan-2-ol (PubChem CID 117410596) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)propan-2-ol.

Molecular Properties

Compound Name1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)propan-2-ol
PubChem CID117410596
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)propan-2-ol
SMILESCOc1cc(CC(C)O)c(OC)c2c1C1CCC2C1
InChIInChI=1S/C16H22O3/c1-9(17)6-12-8-13(18-2)14-10-4-5-11(7-10)15(14)16(12)19-3/h8-11,17H,4-7H2,1-3H3
InChIKeyXCKXKEIXABDCCP-UHFFFAOYSA-N
XLogP2.99
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)propan-2-ol with MolForge

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Related Compounds

2-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethanol
CID 117373858
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-[4-(fluoromethyl)-2,5-dimethoxyphenyl]propan-2-ol
CID 117328887
[1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)cyclopentyl]methanamine
CID 117485715
1-(3,4-dimethoxy-2,6-dimethylphenyl)propan-2-ol
CID 117322324
3-(2-hydroxypropyl)-4,5-dimethoxybenzonitrile
CID 117315583
1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
CID 117374936
1-(2,4-difluoro-5-methoxyphenyl)propan-2-ol
CID 117290712

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)propan-2-ol?
The IUPAC name of 1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)propan-2-ol (CID 117410596) is 1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)propan-2-ol.
What is the SMILES notation for 1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)propan-2-ol?
The canonical SMILES for 1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)propan-2-ol is COc1cc(CC(C)O)c(OC)c2c1C1CCC2C1.
What is the InChIKey of 1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)propan-2-ol?
The InChIKey is XCKXKEIXABDCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-9(17)6-12-8-13(18-2)14-10-4-5-11(7-10)15(14)16(12)19-3/h8-11,17H,4-7H2,1-3H3.
What are the key properties of 1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)propan-2-ol?
1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)propan-2-ol has a molecular weight of 262.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)propan-2-ol is sourced from PubChem (CID 117410596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).