6-ethyl-10,11-dihydro-9H-benzo[a]anthracen-8-one

C20H18O — CID 125464395

IUPAC6-ethyl-10,11-dihydro-9H-benzo[a]anthracen-8-one
SMILESCCc1cc2ccccc2c2cc3c(cc12)C(=O)CCC3
InChIInChI=1S/C20H18O/c1-2-13-10-14-6-3-4-8-16(14)19-11-15-7-5-9-20(21)18(15)12-17(13)19/h3-4,6,8,10-12H,2,5,7,9H2,1H3
InChIKeyCRGWZNHWQYANPV-UHFFFAOYSA-N
MW274.36 g/mol
LogP5.07
Rot. Bonds1

About 6-ethyl-10,11-dihydro-9H-benzo[a]anthracen-8-one

6-ethyl-10,11-dihydro-9H-benzo[a]anthracen-8-one (PubChem CID 125464395) has the molecular formula C20H18O and a molecular weight of 274.36 g/mol. Its IUPAC name is 6-ethyl-10,11-dihydro-9H-benzo[a]anthracen-8-one.

Molecular Properties

Compound Name6-ethyl-10,11-dihydro-9H-benzo[a]anthracen-8-one
PubChem CID125464395
Molecular FormulaC20H18O
Molecular Weight274.36 g/mol
Exact Mass274.14
IUPAC Name6-ethyl-10,11-dihydro-9H-benzo[a]anthracen-8-one
SMILESCCc1cc2ccccc2c2cc3c(cc12)C(=O)CCC3
InChIInChI=1S/C20H18O/c1-2-13-10-14-6-3-4-8-16(14)19-11-15-7-5-9-20(21)18(15)12-17(13)19/h3-4,6,8,10-12H,2,5,7,9H2,1H3
InChIKeyCRGWZNHWQYANPV-UHFFFAOYSA-N
XLogP5.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.36
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-phenyl-3,4-dihydro-2H-anthracen-1-one
CID 174638646
5-tert-butyl-3,4-dihydro-2H-anthracen-1-one
CID 174650762
5-ethyl-1,2,3,4-tetrahydroanthracene
CID 141269354
5,6-diethyl-2,3-dihydroinden-1-one
CID 22238300
10-ethylpentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 90794519
6,7-diphenyl-3,4-dihydro-2H-naphthalen-1-one
CID 102006717
anthracene;6-ethyl-1,2,3,4-tetrahydrochrysene
CID 174858914
5-ethyl-3,4-dihydro-2H-naphthalen-1-one
CID 589817
2,3-dihydro-1H-indene;2,3-dihydroinden-1-one;3,4-dihydro-2H-naphthalen-1-one;ethane;methane;tetrakis(2-methylpropane);propane;1,2,3,4-tetrahydronaphthalene
CID 161253629
6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65369803
benzene;cyclohexane;cyclohexanone;cyclopentane;cyclopentanone;2,3-dihydro-1H-indene;2,3-dihydroinden-1-one;3,4-dihydro-2H-naphthalen-1-one;naphthalene;1,2,3,4-tetrahydronaphthalene
CID 159746722
6,7-dipropoxy-3,4-dihydro-2H-naphthalen-1-one
CID 10084070

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-10,11-dihydro-9H-benzo[a]anthracen-8-one?
The IUPAC name of 6-ethyl-10,11-dihydro-9H-benzo[a]anthracen-8-one (CID 125464395) is 6-ethyl-10,11-dihydro-9H-benzo[a]anthracen-8-one.
What is the SMILES notation for 6-ethyl-10,11-dihydro-9H-benzo[a]anthracen-8-one?
The canonical SMILES for 6-ethyl-10,11-dihydro-9H-benzo[a]anthracen-8-one is CCc1cc2ccccc2c2cc3c(cc12)C(=O)CCC3.
What is the InChIKey of 6-ethyl-10,11-dihydro-9H-benzo[a]anthracen-8-one?
The InChIKey is CRGWZNHWQYANPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O/c1-2-13-10-14-6-3-4-8-16(14)19-11-15-7-5-9-20(21)18(15)12-17(13)19/h3-4,6,8,10-12H,2,5,7,9H2,1H3.
What are the key properties of 6-ethyl-10,11-dihydro-9H-benzo[a]anthracen-8-one?
6-ethyl-10,11-dihydro-9H-benzo[a]anthracen-8-one has a molecular weight of 274.36 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-10,11-dihydro-9H-benzo[a]anthracen-8-one is sourced from PubChem (CID 125464395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).