1,2-dimethyl-2,10b-dihydro-1H-fluoranthen-3-one

C18H16O — CID 59943597

IUPAC1,2-dimethyl-2,10b-dihydro-1H-fluoranthen-3-one
SMILESCC1C(=O)c2cccc3c2C(c2ccccc2-3)C1C
InChIInChI=1S/C18H16O/c1-10-11(2)18(19)15-9-5-8-14-12-6-3-4-7-13(12)16(10)17(14)15/h3-11,16H,1-2H3
InChIKeyQKOJEBUKTQPKGZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.27
Rot. Bonds

About 1,2-dimethyl-2,10b-dihydro-1H-fluoranthen-3-one

1,2-dimethyl-2,10b-dihydro-1H-fluoranthen-3-one (PubChem CID 59943597) has the molecular formula C18H16O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1,2-dimethyl-2,10b-dihydro-1H-fluoranthen-3-one.

Molecular Properties

Compound Name1,2-dimethyl-2,10b-dihydro-1H-fluoranthen-3-one
PubChem CID59943597
Molecular FormulaC18H16O
Molecular Weight248.33 g/mol
Exact Mass248.12
IUPAC Name1,2-dimethyl-2,10b-dihydro-1H-fluoranthen-3-one
SMILESCC1C(=O)c2cccc3c2C(c2ccccc2-3)C1C
InChIInChI=1S/C18H16O/c1-10-11(2)18(19)15-9-5-8-14-12-6-3-4-7-13(12)16(10)17(14)15/h3-11,16H,1-2H3
InChIKeyQKOJEBUKTQPKGZ-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-9-(1-methyl-9H-fluoren-9-yl)-9H-fluorene
CID 13306900
(1S,10bS)-3-oxo-2,10b-dihydro-1H-fluoranthene-1-carboxylic acid
CID 97033627
(2R,3R)-3-hydroxy-2-methyl-2,3-dihydroinden-1-one
CID 10534997
1,9-dimethyl-9H-fluorene
CID 28227
3-chloro-2-methyl-2,3-dihydroinden-1-one
CID 14291532
4-fluoro-2,3-dimethyl-2,3-dihydroinden-1-one
CID 79729480
3,4-dimethyl-3,4-dihydronaphthalene-1,2-dione
CID 123539501
14-ethyl-15-methyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one
CID 23263886
9-methyl-9H-fluorene;prop-1-ene
CID 145012304
3-(1H-imidazol-5-yl)-2-methyl-2,3-dihydroinden-1-one
CID 22897475
(1R,3E,10bS)-3-hydrazinylidene-2,10b-dihydro-1H-fluoranthene-1-carboxylic acid
CID 99984654
(1R,3E,10bR)-3-hydroxyimino-2,10b-dihydro-1H-fluoranthene-1-carboxylic acid
CID 99984661

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-2,10b-dihydro-1H-fluoranthen-3-one?
The IUPAC name of 1,2-dimethyl-2,10b-dihydro-1H-fluoranthen-3-one (CID 59943597) is 1,2-dimethyl-2,10b-dihydro-1H-fluoranthen-3-one.
What is the SMILES notation for 1,2-dimethyl-2,10b-dihydro-1H-fluoranthen-3-one?
The canonical SMILES for 1,2-dimethyl-2,10b-dihydro-1H-fluoranthen-3-one is CC1C(=O)c2cccc3c2C(c2ccccc2-3)C1C.
What is the InChIKey of 1,2-dimethyl-2,10b-dihydro-1H-fluoranthen-3-one?
The InChIKey is QKOJEBUKTQPKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O/c1-10-11(2)18(19)15-9-5-8-14-12-6-3-4-7-13(12)16(10)17(14)15/h3-11,16H,1-2H3.
What are the key properties of 1,2-dimethyl-2,10b-dihydro-1H-fluoranthen-3-one?
1,2-dimethyl-2,10b-dihydro-1H-fluoranthen-3-one has a molecular weight of 248.33 g/mol, XLogP of 4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2,10b-dihydro-1H-fluoranthen-3-one is sourced from PubChem (CID 59943597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).