9,10-dimethoxy-1,4,8a,10a-tetrahydroanthracene

C16H18O2 — CID 10331987

IUPAC9,10-dimethoxy-1,4,8a,10a-tetrahydroanthracene
SMILESCOC1=C2CC=CCC2=C(OC)C2C=CC=CC12
InChIInChI=1S/C16H18O2/c1-17-15-11-7-3-5-9-13(11)16(18-2)14-10-6-4-8-12(14)15/h3-7,9,11,13H,8,10H2,1-2H3
InChIKeyYEXOWKTXNJFEOW-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.51
Rot. Bonds2

About 9,10-dimethoxy-1,4,8a,10a-tetrahydroanthracene

9,10-dimethoxy-1,4,8a,10a-tetrahydroanthracene (PubChem CID 10331987) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 9,10-dimethoxy-1,4,8a,10a-tetrahydroanthracene.

Molecular Properties

Compound Name9,10-dimethoxy-1,4,8a,10a-tetrahydroanthracene
PubChem CID10331987
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name9,10-dimethoxy-1,4,8a,10a-tetrahydroanthracene
SMILESCOC1=C2CC=CCC2=C(OC)C2C=CC=CC12
InChIInChI=1S/C16H18O2/c1-17-15-11-7-3-5-9-13(11)16(18-2)14-10-6-4-8-12(14)15/h3-7,9,11,13H,8,10H2,1-2H3
InChIKeyYEXOWKTXNJFEOW-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,10-dimethoxy-1,4,8a,10a-tetrahydroanthracene?
The IUPAC name of 9,10-dimethoxy-1,4,8a,10a-tetrahydroanthracene (CID 10331987) is 9,10-dimethoxy-1,4,8a,10a-tetrahydroanthracene.
What is the SMILES notation for 9,10-dimethoxy-1,4,8a,10a-tetrahydroanthracene?
The canonical SMILES for 9,10-dimethoxy-1,4,8a,10a-tetrahydroanthracene is COC1=C2CC=CCC2=C(OC)C2C=CC=CC12.
What is the InChIKey of 9,10-dimethoxy-1,4,8a,10a-tetrahydroanthracene?
The InChIKey is YEXOWKTXNJFEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-17-15-11-7-3-5-9-13(11)16(18-2)14-10-6-4-8-12(14)15/h3-7,9,11,13H,8,10H2,1-2H3.
What are the key properties of 9,10-dimethoxy-1,4,8a,10a-tetrahydroanthracene?
9,10-dimethoxy-1,4,8a,10a-tetrahydroanthracene has a molecular weight of 242.32 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethoxy-1,4,8a,10a-tetrahydroanthracene is sourced from PubChem (CID 10331987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).