3,7-dimethoxy-2,5,9,10-tetrahydrophenanthrene

C16H18O2 — CID 171342922

IUPAC3,7-dimethoxy-2,5,9,10-tetrahydrophenanthrene
SMILESCOC1=CCC2=C3C=C(OC)CC=C3CCC2=C1
InChIInChI=1S/C16H18O2/c1-17-13-7-8-15-12(9-13)4-3-11-5-6-14(18-2)10-16(11)15/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKeyXAVMHAAWSLAKAI-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.80
Rot. Bonds2

About 3,7-dimethoxy-2,5,9,10-tetrahydrophenanthrene

3,7-dimethoxy-2,5,9,10-tetrahydrophenanthrene (PubChem CID 171342922) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3,7-dimethoxy-2,5,9,10-tetrahydrophenanthrene.

Molecular Properties

Compound Name3,7-dimethoxy-2,5,9,10-tetrahydrophenanthrene
PubChem CID171342922
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name3,7-dimethoxy-2,5,9,10-tetrahydrophenanthrene
SMILESCOC1=CCC2=C3C=C(OC)CC=C3CCC2=C1
InChIInChI=1S/C16H18O2/c1-17-13-7-8-15-12(9-13)4-3-11-5-6-14(18-2)10-16(11)15/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKeyXAVMHAAWSLAKAI-UHFFFAOYSA-N
XLogP3.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethoxy-2,5,9,10-tetrahydrophenanthrene?
The IUPAC name of 3,7-dimethoxy-2,5,9,10-tetrahydrophenanthrene (CID 171342922) is 3,7-dimethoxy-2,5,9,10-tetrahydrophenanthrene.
What is the SMILES notation for 3,7-dimethoxy-2,5,9,10-tetrahydrophenanthrene?
The canonical SMILES for 3,7-dimethoxy-2,5,9,10-tetrahydrophenanthrene is COC1=CCC2=C3C=C(OC)CC=C3CCC2=C1.
What is the InChIKey of 3,7-dimethoxy-2,5,9,10-tetrahydrophenanthrene?
The InChIKey is XAVMHAAWSLAKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-17-13-7-8-15-12(9-13)4-3-11-5-6-14(18-2)10-16(11)15/h5,7,9-10H,3-4,6,8H2,1-2H3.
What are the key properties of 3,7-dimethoxy-2,5,9,10-tetrahydrophenanthrene?
3,7-dimethoxy-2,5,9,10-tetrahydrophenanthrene has a molecular weight of 242.32 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethoxy-2,5,9,10-tetrahydrophenanthrene is sourced from PubChem (CID 171342922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).