1,1-dimethylaceanthrylen-2-one

C18H14O — CID 14957844

IUPAC1,1-dimethylaceanthrylen-2-one
SMILESCC1(C)C(=O)c2cccc3cc4ccccc4c1c23
InChIInChI=1S/C18H14O/c1-18(2)16-13-8-4-3-6-11(13)10-12-7-5-9-14(15(12)16)17(18)19/h3-10H,1-2H3
InChIKeyAERZJLUGSIJIPZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.47
Rot. Bonds

About 1,1-dimethylaceanthrylen-2-one

1,1-dimethylaceanthrylen-2-one (PubChem CID 14957844) has the molecular formula C18H14O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1,1-dimethylaceanthrylen-2-one.

Molecular Properties

Compound Name1,1-dimethylaceanthrylen-2-one
PubChem CID14957844
Molecular FormulaC18H14O
Molecular Weight246.31 g/mol
Exact Mass246.10
IUPAC Name1,1-dimethylaceanthrylen-2-one
SMILESCC1(C)C(=O)c2cccc3cc4ccccc4c1c23
InChIInChI=1S/C18H14O/c1-18(2)16-13-8-4-3-6-11(13)10-12-7-5-9-14(15(12)16)17(18)19/h3-10H,1-2H3
InChIKeyAERZJLUGSIJIPZ-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

16,16-dimethylheptacyclo[15.11.1.02,15.04,13.06,11.018,23.025,29]nonacosa-1(28),2,4,6,8,10,12,14,17(29),18,20,22,24,26-tetradecaene;ethane
CID 90946644
8,8-dimethylhexacyclo[15.7.1.02,7.09,25.010,15.019,24]pentacosa-1(25),2,4,6,9,11,13,15,17,19,21,23-dodecaene
CID 123897654
16,16-dimethylheptacyclo[15.11.1.02,15.04,13.06,11.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,17,19,21,23,25(29),26-tetradecaene;ethane
CID 90827557
12-amino-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaen-14-one
CID 154697925
6-bromo-11,11-dimethylbenzo[a]fluorene
CID 155318624
9-anthracen-9-ylfluoren-9-ol
CID 72942304
5-(9,9-dimethylfluoren-1-yl)benzo[c]phenanthrene
CID 140710620
2-bromoaceanthrylene
CID 177460390
9-(9-phenylfluoren-9-yl)anthracene
CID 174477278
ethane;hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaene
CID 90911318
3-oxobenzo[j]phenalene-1,2-dicarbonitrile
CID 71724669
15,15-dimethylhexacyclo[12.11.0.02,11.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;ethane
CID 91017254

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylaceanthrylen-2-one?
The IUPAC name of 1,1-dimethylaceanthrylen-2-one (CID 14957844) is 1,1-dimethylaceanthrylen-2-one.
What is the SMILES notation for 1,1-dimethylaceanthrylen-2-one?
The canonical SMILES for 1,1-dimethylaceanthrylen-2-one is CC1(C)C(=O)c2cccc3cc4ccccc4c1c23.
What is the InChIKey of 1,1-dimethylaceanthrylen-2-one?
The InChIKey is AERZJLUGSIJIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O/c1-18(2)16-13-8-4-3-6-11(13)10-12-7-5-9-14(15(12)16)17(18)19/h3-10H,1-2H3.
What are the key properties of 1,1-dimethylaceanthrylen-2-one?
1,1-dimethylaceanthrylen-2-one has a molecular weight of 246.31 g/mol, XLogP of 4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylaceanthrylen-2-one is sourced from PubChem (CID 14957844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).