5-methoxy-7-methyl-4-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol

C13H18O2 — CID 130324534

IUPAC5-methoxy-7-methyl-4-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol
SMILESCOc1c(C(C)C)ccc2c1C(C)(O)C2
InChIInChI=1S/C13H18O2/c1-8(2)10-6-5-9-7-13(3,14)11(9)12(10)15-4/h5-6,8,14H,7H2,1-4H3
InChIKeyUWCKUIJOEHMKJJ-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.58
Rot. Bonds2

About 5-methoxy-7-methyl-4-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol

5-methoxy-7-methyl-4-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol (PubChem CID 130324534) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 5-methoxy-7-methyl-4-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol.

Molecular Properties

Compound Name5-methoxy-7-methyl-4-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol
PubChem CID130324534
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name5-methoxy-7-methyl-4-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol
SMILESCOc1c(C(C)C)ccc2c1C(C)(O)C2
InChIInChI=1S/C13H18O2/c1-8(2)10-6-5-9-7-13(3,14)11(9)12(10)15-4/h5-6,8,14H,7H2,1-4H3
InChIKeyUWCKUIJOEHMKJJ-UHFFFAOYSA-N
XLogP2.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-7-methyl-4-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol?
The IUPAC name of 5-methoxy-7-methyl-4-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol (CID 130324534) is 5-methoxy-7-methyl-4-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol.
What is the SMILES notation for 5-methoxy-7-methyl-4-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol?
The canonical SMILES for 5-methoxy-7-methyl-4-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol is COc1c(C(C)C)ccc2c1C(C)(O)C2.
What is the InChIKey of 5-methoxy-7-methyl-4-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol?
The InChIKey is UWCKUIJOEHMKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-8(2)10-6-5-9-7-13(3,14)11(9)12(10)15-4/h5-6,8,14H,7H2,1-4H3.
What are the key properties of 5-methoxy-7-methyl-4-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol?
5-methoxy-7-methyl-4-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol has a molecular weight of 206.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7-methyl-4-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol is sourced from PubChem (CID 130324534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).