2,7-dimethyl-2,3,4,5,6,7-hexahydroanthracene-1,8-dione

C16H18O2 — CID 143073531

IUPAC2,7-dimethyl-2,3,4,5,6,7-hexahydroanthracene-1,8-dione
SMILESCC1CCc2cc3c(cc2C1=O)C(=O)C(C)CC3
InChIInChI=1S/C16H18O2/c1-9-3-5-11-7-12-6-4-10(2)16(18)14(12)8-13(11)15(9)17/h7-10H,3-6H2,1-2H3
InChIKeyRXJMMELSESDNDA-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.22
Rot. Bonds

About 2,7-dimethyl-2,3,4,5,6,7-hexahydroanthracene-1,8-dione

2,7-dimethyl-2,3,4,5,6,7-hexahydroanthracene-1,8-dione (PubChem CID 143073531) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2,7-dimethyl-2,3,4,5,6,7-hexahydroanthracene-1,8-dione.

Molecular Properties

Compound Name2,7-dimethyl-2,3,4,5,6,7-hexahydroanthracene-1,8-dione
PubChem CID143073531
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name2,7-dimethyl-2,3,4,5,6,7-hexahydroanthracene-1,8-dione
SMILESCC1CCc2cc3c(cc2C1=O)C(=O)C(C)CC3
InChIInChI=1S/C16H18O2/c1-9-3-5-11-7-12-6-4-10(2)16(18)14(12)8-13(11)15(9)17/h7-10H,3-6H2,1-2H3
InChIKeyRXJMMELSESDNDA-UHFFFAOYSA-N
XLogP3.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-dichloro-2-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 139984515
6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 10334429
(2S,8R)-2,8-dimethyl-2,3,4,8,9,10-hexahydrochrysene-1,7-dione
CID 6977247
(3R)-3-methyl-2,3-dihydro-1H-phenanthren-4-one
CID 14940541
(2R)-5-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 95431927
1-ethyl-2,5-dimethyl-6,7-dihydro-5H-indol-4-one
CID 121015503
2-(2-aminopropan-2-yl)-3,4,5,6,7,8-hexahydro-2H-anthracen-1-one
CID 21146145
6-methyltetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8-trien-5-one
CID 178126148
3,6-dimethyl-2,3-dihydro-1H-phenanthren-4-one
CID 143069879
2-amino-6,7-dichloro-3,4-dihydro-2H-naphthalen-1-one
CID 14976596
(2R)-6-bromo-2-methyl-2,3-dihydroinden-1-one
CID 86316397
1-[2-(6-methyl-5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrimidin-5-yl]-3-phenylurea
CID 141353895

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-2,3,4,5,6,7-hexahydroanthracene-1,8-dione?
The IUPAC name of 2,7-dimethyl-2,3,4,5,6,7-hexahydroanthracene-1,8-dione (CID 143073531) is 2,7-dimethyl-2,3,4,5,6,7-hexahydroanthracene-1,8-dione.
What is the SMILES notation for 2,7-dimethyl-2,3,4,5,6,7-hexahydroanthracene-1,8-dione?
The canonical SMILES for 2,7-dimethyl-2,3,4,5,6,7-hexahydroanthracene-1,8-dione is CC1CCc2cc3c(cc2C1=O)C(=O)C(C)CC3.
What is the InChIKey of 2,7-dimethyl-2,3,4,5,6,7-hexahydroanthracene-1,8-dione?
The InChIKey is RXJMMELSESDNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-9-3-5-11-7-12-6-4-10(2)16(18)14(12)8-13(11)15(9)17/h7-10H,3-6H2,1-2H3.
What are the key properties of 2,7-dimethyl-2,3,4,5,6,7-hexahydroanthracene-1,8-dione?
2,7-dimethyl-2,3,4,5,6,7-hexahydroanthracene-1,8-dione has a molecular weight of 242.32 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-2,3,4,5,6,7-hexahydroanthracene-1,8-dione is sourced from PubChem (CID 143073531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).