2,10-dihydro-1H-benzo[a]anthracen-9-one

C18H14O — CID 88803480

IUPAC2,10-dihydro-1H-benzo[a]anthracen-9-one
SMILESO=C1C=c2cc3ccc4c(c3cc2=CC1)CCC=C4
InChIInChI=1S/C18H14O/c19-16-8-7-13-11-18-14(9-15(13)10-16)6-5-12-3-1-2-4-17(12)18/h1,3,5-7,9-11H,2,4,8H2
InChIKeyWKJOVIORJHKNCN-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.33
Rot. Bonds

About 2,10-dihydro-1H-benzo[a]anthracen-9-one

2,10-dihydro-1H-benzo[a]anthracen-9-one (PubChem CID 88803480) has the molecular formula C18H14O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2,10-dihydro-1H-benzo[a]anthracen-9-one.

Molecular Properties

Compound Name2,10-dihydro-1H-benzo[a]anthracen-9-one
PubChem CID88803480
Molecular FormulaC18H14O
Molecular Weight246.31 g/mol
Exact Mass246.10
IUPAC Name2,10-dihydro-1H-benzo[a]anthracen-9-one
SMILESO=C1C=c2cc3ccc4c(c3cc2=CC1)CCC=C4
InChIInChI=1S/C18H14O/c19-16-8-7-13-11-18-14(9-15(13)10-16)6-5-12-3-1-2-4-17(12)18/h1,3,5-7,9-11H,2,4,8H2
InChIKeyWKJOVIORJHKNCN-UHFFFAOYSA-N
XLogP2.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,10-dihydro-1H-benzo[a]anthracen-9-one?
The IUPAC name of 2,10-dihydro-1H-benzo[a]anthracen-9-one (CID 88803480) is 2,10-dihydro-1H-benzo[a]anthracen-9-one.
What is the SMILES notation for 2,10-dihydro-1H-benzo[a]anthracen-9-one?
The canonical SMILES for 2,10-dihydro-1H-benzo[a]anthracen-9-one is O=C1C=c2cc3ccc4c(c3cc2=CC1)CCC=C4.
What is the InChIKey of 2,10-dihydro-1H-benzo[a]anthracen-9-one?
The InChIKey is WKJOVIORJHKNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O/c19-16-8-7-13-11-18-14(9-15(13)10-16)6-5-12-3-1-2-4-17(12)18/h1,3,5-7,9-11H,2,4,8H2.
What are the key properties of 2,10-dihydro-1H-benzo[a]anthracen-9-one?
2,10-dihydro-1H-benzo[a]anthracen-9-one has a molecular weight of 246.31 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dihydro-1H-benzo[a]anthracen-9-one is sourced from PubChem (CID 88803480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).