(2S,8R)-2,8-dimethyl-2,3,4,8,9,10-hexahydrochrysene-1,7-dione

C20H20O2 — CID 6977247

IUPAC(2S,8R)-2,8-dimethyl-2,3,4,8,9,10-hexahydrochrysene-1,7-dione
SMILESC[C@@H]1CCc2c(ccc3c4c(ccc23)C(=O)[C@@H](C)CC4)C1=O
InChIInChI=1S/C20H20O2/c1-11-3-5-15-13-8-10-18-16(6-4-12(2)20(18)22)14(13)7-9-17(15)19(11)21/h7-12H,3-6H2,1-2H3/t11-,12+
InChIKeyFSPIKCDLHIIDOY-TXEJJXNPSA-N
MW292.38 g/mol
LogP4.37
Rot. Bonds

About (2S,8R)-2,8-dimethyl-2,3,4,8,9,10-hexahydrochrysene-1,7-dione

(2S,8R)-2,8-dimethyl-2,3,4,8,9,10-hexahydrochrysene-1,7-dione (PubChem CID 6977247) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2S,8R)-2,8-dimethyl-2,3,4,8,9,10-hexahydrochrysene-1,7-dione.

Molecular Properties

Compound Name(2S,8R)-2,8-dimethyl-2,3,4,8,9,10-hexahydrochrysene-1,7-dione
PubChem CID6977247
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name(2S,8R)-2,8-dimethyl-2,3,4,8,9,10-hexahydrochrysene-1,7-dione
SMILESC[C@@H]1CCc2c(ccc3c4c(ccc23)C(=O)[C@@H](C)CC4)C1=O
InChIInChI=1S/C20H20O2/c1-11-3-5-15-13-8-10-18-16(6-4-12(2)20(18)22)14(13)7-9-17(15)19(11)21/h7-12H,3-6H2,1-2H3/t11-,12+
InChIKeyFSPIKCDLHIIDOY-TXEJJXNPSA-N
XLogP4.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S,8R)-2,8-dimethyl-2,3,4,8,9,10-hexahydrochrysene-1,7-dione with MolForge

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Related Compounds

2-methyl-3,4-dihydro-2H-phenanthren-1-one;hydrochloride
CID 141017293
(2R)-5-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 95431927
2,7-dimethyl-2,3,4,5,6,7-hexahydroanthracene-1,8-dione
CID 143073531
6,7-dichloro-2-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 139984515
8-chloro-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 139984587
4-bromo-2-methyl-2,3-dihydroinden-1-one;ethane
CID 143769124
6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 10334429
methyl 1-oxo-3,4-dihydro-2H-phenanthrene-2-sulfonate
CID 24975192
(3R)-3-methyl-2,3-dihydro-1H-phenanthren-4-one
CID 14940541
(2S)-4-chloro-5-methoxy-2-methyl-2,3-dihydroinden-1-one
CID 146510847
2-imino-5-methylcyclopentan-1-one
CID 119097697
1-ethyl-2,5-dimethyl-6,7-dihydro-5H-indol-4-one
CID 121015503

Frequently Asked Questions

What is the IUPAC name of (2S,8R)-2,8-dimethyl-2,3,4,8,9,10-hexahydrochrysene-1,7-dione?
The IUPAC name of (2S,8R)-2,8-dimethyl-2,3,4,8,9,10-hexahydrochrysene-1,7-dione (CID 6977247) is (2S,8R)-2,8-dimethyl-2,3,4,8,9,10-hexahydrochrysene-1,7-dione.
What is the SMILES notation for (2S,8R)-2,8-dimethyl-2,3,4,8,9,10-hexahydrochrysene-1,7-dione?
The canonical SMILES for (2S,8R)-2,8-dimethyl-2,3,4,8,9,10-hexahydrochrysene-1,7-dione is C[C@@H]1CCc2c(ccc3c4c(ccc23)C(=O)[C@@H](C)CC4)C1=O.
What is the InChIKey of (2S,8R)-2,8-dimethyl-2,3,4,8,9,10-hexahydrochrysene-1,7-dione?
The InChIKey is FSPIKCDLHIIDOY-TXEJJXNPSA-N. The full InChI is InChI=1S/C20H20O2/c1-11-3-5-15-13-8-10-18-16(6-4-12(2)20(18)22)14(13)7-9-17(15)19(11)21/h7-12H,3-6H2,1-2H3/t11-,12+.
What are the key properties of (2S,8R)-2,8-dimethyl-2,3,4,8,9,10-hexahydrochrysene-1,7-dione?
(2S,8R)-2,8-dimethyl-2,3,4,8,9,10-hexahydrochrysene-1,7-dione has a molecular weight of 292.38 g/mol, XLogP of 4.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,8R)-2,8-dimethyl-2,3,4,8,9,10-hexahydrochrysene-1,7-dione is sourced from PubChem (CID 6977247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).