1,2,6,9a-tetrahydroanthracene

C14H14 — CID 91360178

IUPAC1,2,6,9a-tetrahydroanthracene
SMILESC1=CC2=CC3CCC=CC3=CC2=CC1
InChIInChI=1S/C14H14/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1,4-6,8-10,13H,2-3,7H2
InChIKeyBKAOTYPVLPIJKQ-UHFFFAOYSA-N
MW182.27 g/mol
LogP3.71
Rot. Bonds

About 1,2,6,9a-tetrahydroanthracene

1,2,6,9a-tetrahydroanthracene (PubChem CID 91360178) has the molecular formula C14H14 and a molecular weight of 182.27 g/mol. Its IUPAC name is 1,2,6,9a-tetrahydroanthracene.

Molecular Properties

Compound Name1,2,6,9a-tetrahydroanthracene
PubChem CID91360178
Molecular FormulaC14H14
Molecular Weight182.27 g/mol
Exact Mass182.11
IUPAC Name1,2,6,9a-tetrahydroanthracene
SMILESC1=CC2=CC3CCC=CC3=CC2=CC1
InChIInChI=1S/C14H14/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1,4-6,8-10,13H,2-3,7H2
InChIKeyBKAOTYPVLPIJKQ-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,6,9a-tetrahydroanthracene?
The IUPAC name of 1,2,6,9a-tetrahydroanthracene (CID 91360178) is 1,2,6,9a-tetrahydroanthracene.
What is the SMILES notation for 1,2,6,9a-tetrahydroanthracene?
The canonical SMILES for 1,2,6,9a-tetrahydroanthracene is C1=CC2=CC3CCC=CC3=CC2=CC1.
What is the InChIKey of 1,2,6,9a-tetrahydroanthracene?
The InChIKey is BKAOTYPVLPIJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1,4-6,8-10,13H,2-3,7H2.
What are the key properties of 1,2,6,9a-tetrahydroanthracene?
1,2,6,9a-tetrahydroanthracene has a molecular weight of 182.27 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6,9a-tetrahydroanthracene is sourced from PubChem (CID 91360178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).