2,8-dimethoxy-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene

C17H24O2 — CID 24973163

IUPAC2,8-dimethoxy-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene
SMILESCOc1cccc2c1CCC1CC(OC)CCC21C
InChIInChI=1S/C17H24O2/c1-17-10-9-13(18-2)11-12(17)7-8-14-15(17)5-4-6-16(14)19-3/h4-6,12-13H,7-11H2,1-3H3
InChIKeyGYOOVBSQTLLARP-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.71
Rot. Bonds2

About 2,8-dimethoxy-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene

2,8-dimethoxy-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene (PubChem CID 24973163) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2,8-dimethoxy-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene.

Molecular Properties

Compound Name2,8-dimethoxy-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene
PubChem CID24973163
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2,8-dimethoxy-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene
SMILESCOc1cccc2c1CCC1CC(OC)CCC21C
InChIInChI=1S/C17H24O2/c1-17-10-9-13(18-2)11-12(17)7-8-14-15(17)5-4-6-16(14)19-3/h4-6,12-13H,7-11H2,1-3H3
InChIKeyGYOOVBSQTLLARP-UHFFFAOYSA-N
XLogP3.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethoxy-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene?
The IUPAC name of 2,8-dimethoxy-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene (CID 24973163) is 2,8-dimethoxy-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene.
What is the SMILES notation for 2,8-dimethoxy-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene?
The canonical SMILES for 2,8-dimethoxy-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene is COc1cccc2c1CCC1CC(OC)CCC21C.
What is the InChIKey of 2,8-dimethoxy-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene?
The InChIKey is GYOOVBSQTLLARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-17-10-9-13(18-2)11-12(17)7-8-14-15(17)5-4-6-16(14)19-3/h4-6,12-13H,7-11H2,1-3H3.
What are the key properties of 2,8-dimethoxy-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene?
2,8-dimethoxy-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene has a molecular weight of 260.38 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethoxy-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene is sourced from PubChem (CID 24973163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).