12bH-benzo[a]anthracen-10-one

C18H12O — CID 87813275

IUPAC12bH-benzo[a]anthracen-10-one
SMILESO=C1C=Cc2cc3c(cc2=C1)C1C=CC=CC1=CC=3
InChIInChI=1S/C18H12O/c19-16-8-7-13-9-14-6-5-12-3-1-2-4-17(12)18(14)11-15(13)10-16/h1-11,17H
InChIKeyHQOYIPLXSFKNII-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.99
Rot. Bonds

About 12bH-benzo[a]anthracen-10-one

12bH-benzo[a]anthracen-10-one (PubChem CID 87813275) has the molecular formula C18H12O and a molecular weight of 244.29 g/mol. Its IUPAC name is 12bH-benzo[a]anthracen-10-one.

Molecular Properties

Compound Name12bH-benzo[a]anthracen-10-one
PubChem CID87813275
Molecular FormulaC18H12O
Molecular Weight244.29 g/mol
Exact Mass244.09
IUPAC Name12bH-benzo[a]anthracen-10-one
SMILESO=C1C=Cc2cc3c(cc2=C1)C1C=CC=CC1=CC=3
InChIInChI=1S/C18H12O/c19-16-8-7-13-9-14-6-5-12-3-1-2-4-17(12)18(14)11-15(13)10-16/h1-11,17H
InChIKeyHQOYIPLXSFKNII-UHFFFAOYSA-N
XLogP1.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 12bH-benzo[a]anthracen-10-one?
The IUPAC name of 12bH-benzo[a]anthracen-10-one (CID 87813275) is 12bH-benzo[a]anthracen-10-one.
What is the SMILES notation for 12bH-benzo[a]anthracen-10-one?
The canonical SMILES for 12bH-benzo[a]anthracen-10-one is O=C1C=Cc2cc3c(cc2=C1)C1C=CC=CC1=CC=3.
What is the InChIKey of 12bH-benzo[a]anthracen-10-one?
The InChIKey is HQOYIPLXSFKNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O/c19-16-8-7-13-9-14-6-5-12-3-1-2-4-17(12)18(14)11-15(13)10-16/h1-11,17H.
What are the key properties of 12bH-benzo[a]anthracen-10-one?
12bH-benzo[a]anthracen-10-one has a molecular weight of 244.29 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12bH-benzo[a]anthracen-10-one is sourced from PubChem (CID 87813275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).