6,8,9,10-tetrahydro-5H-benzo[a]anthracen-11-one

C18H16O — CID 619161

IUPAC6,8,9,10-tetrahydro-5H-benzo[a]anthracen-11-one
SMILESO=C1CCCc2cc3c(cc21)-c1ccccc1CC3
InChIInChI=1S/C18H16O/c19-18-7-3-5-13-10-14-9-8-12-4-1-2-6-15(12)16(14)11-17(13)18/h1-2,4,6,10-11H,3,5,7-9H2
InChIKeyYVGXWBAAHRAVFX-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.97
Rot. Bonds

About 6,8,9,10-tetrahydro-5H-benzo[a]anthracen-11-one

6,8,9,10-tetrahydro-5H-benzo[a]anthracen-11-one (PubChem CID 619161) has the molecular formula C18H16O and a molecular weight of 248.33 g/mol. Its IUPAC name is 6,8,9,10-tetrahydro-5H-benzo[a]anthracen-11-one.

Molecular Properties

Compound Name6,8,9,10-tetrahydro-5H-benzo[a]anthracen-11-one
PubChem CID619161
Molecular FormulaC18H16O
Molecular Weight248.33 g/mol
Exact Mass248.12
IUPAC Name6,8,9,10-tetrahydro-5H-benzo[a]anthracen-11-one
SMILESO=C1CCCc2cc3c(cc21)-c1ccccc1CC3
InChIInChI=1S/C18H16O/c19-18-7-3-5-13-10-14-9-8-12-4-1-2-6-15(12)16(14)11-17(13)18/h1-2,4,6,10-11H,3,5,7-9H2
InChIKeyYVGXWBAAHRAVFX-UHFFFAOYSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,8,9,10-tetrahydro-5H-benzo[a]anthracen-11-one?
The IUPAC name of 6,8,9,10-tetrahydro-5H-benzo[a]anthracen-11-one (CID 619161) is 6,8,9,10-tetrahydro-5H-benzo[a]anthracen-11-one.
What is the SMILES notation for 6,8,9,10-tetrahydro-5H-benzo[a]anthracen-11-one?
The canonical SMILES for 6,8,9,10-tetrahydro-5H-benzo[a]anthracen-11-one is O=C1CCCc2cc3c(cc21)-c1ccccc1CC3.
What is the InChIKey of 6,8,9,10-tetrahydro-5H-benzo[a]anthracen-11-one?
The InChIKey is YVGXWBAAHRAVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O/c19-18-7-3-5-13-10-14-9-8-12-4-1-2-6-15(12)16(14)11-17(13)18/h1-2,4,6,10-11H,3,5,7-9H2.
What are the key properties of 6,8,9,10-tetrahydro-5H-benzo[a]anthracen-11-one?
6,8,9,10-tetrahydro-5H-benzo[a]anthracen-11-one has a molecular weight of 248.33 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,9,10-tetrahydro-5H-benzo[a]anthracen-11-one is sourced from PubChem (CID 619161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).