2,6-dihydroxy-1,1,7-trimethyl-10,10a-dihydro-2H-phenanthrene-3,9-dione

C17H18O4 — CID 56677956

IUPAC2,6-dihydroxy-1,1,7-trimethyl-10,10a-dihydro-2H-phenanthrene-3,9-dione
SMILESCc1cc2c(cc1O)C1=CC(=O)C(O)C(C)(C)C1CC2=O
InChIInChI=1S/C17H18O4/c1-8-4-11-9(5-13(8)18)10-6-15(20)16(21)17(2,3)12(10)7-14(11)19/h4-6,12,16,18,21H,7H2,1-3H3
InChIKeyLBNRPGWLEIKUBN-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.26
Rot. Bonds

About 2,6-dihydroxy-1,1,7-trimethyl-10,10a-dihydro-2H-phenanthrene-3,9-dione

2,6-dihydroxy-1,1,7-trimethyl-10,10a-dihydro-2H-phenanthrene-3,9-dione (PubChem CID 56677956) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2,6-dihydroxy-1,1,7-trimethyl-10,10a-dihydro-2H-phenanthrene-3,9-dione.

Molecular Properties

Compound Name2,6-dihydroxy-1,1,7-trimethyl-10,10a-dihydro-2H-phenanthrene-3,9-dione
PubChem CID56677956
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name2,6-dihydroxy-1,1,7-trimethyl-10,10a-dihydro-2H-phenanthrene-3,9-dione
SMILESCc1cc2c(cc1O)C1=CC(=O)C(O)C(C)(C)C1CC2=O
InChIInChI=1S/C17H18O4/c1-8-4-11-9(5-13(8)18)10-6-15(20)16(21)17(2,3)12(10)7-14(11)19/h4-6,12,16,18,21H,7H2,1-3H3
InChIKeyLBNRPGWLEIKUBN-UHFFFAOYSA-N
XLogP2.26
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-2,4,6-trihydroxy-3,3,4,7-tetramethyl-2H-naphthalen-1-one
CID 132512192
(4aS)-6-hydroxy-1,1,4a,7-tetramethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
CID 134169933
7-hydroxy-6-methyl-2-prop-1-enyl-2,3-dihydrochromen-4-one
CID 163109665
2,6,7-trihydroxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
CID 163115438
(2S,4aS)-2,6-dihydroxy-1,1,4a,7-tetramethyl-3,4-dihydro-2H-phenanthren-9-one
CID 11694896
(11R,15R)-15-hydroxy-5-methoxy-6,12,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6-tetraen-9-one
CID 162895840
(3S)-3,6-dihydroxy-4-methoxy-5-methyl-2,3-dihydroinden-1-one
CID 169491606
1-(3-hydroxy-4-methylphenyl)-4-methylpiperidine-2,6-dione
CID 64794979
5-hydroxy-6-methyl-2,3-dihydroinden-1-one;trichloroalumane
CID 158655630
6-hydroxy-1,1,7-trimethyl-3,4-dihydrophenanthren-2-one
CID 73212506
(2R)-7-hydroxy-2,6,8-trimethyl-2,3-dihydrochromen-4-one
CID 52953388
5,6-dimethylindene-1,3-dione
CID 15140857

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-1,1,7-trimethyl-10,10a-dihydro-2H-phenanthrene-3,9-dione?
The IUPAC name of 2,6-dihydroxy-1,1,7-trimethyl-10,10a-dihydro-2H-phenanthrene-3,9-dione (CID 56677956) is 2,6-dihydroxy-1,1,7-trimethyl-10,10a-dihydro-2H-phenanthrene-3,9-dione.
What is the SMILES notation for 2,6-dihydroxy-1,1,7-trimethyl-10,10a-dihydro-2H-phenanthrene-3,9-dione?
The canonical SMILES for 2,6-dihydroxy-1,1,7-trimethyl-10,10a-dihydro-2H-phenanthrene-3,9-dione is Cc1cc2c(cc1O)C1=CC(=O)C(O)C(C)(C)C1CC2=O.
What is the InChIKey of 2,6-dihydroxy-1,1,7-trimethyl-10,10a-dihydro-2H-phenanthrene-3,9-dione?
The InChIKey is LBNRPGWLEIKUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-8-4-11-9(5-13(8)18)10-6-15(20)16(21)17(2,3)12(10)7-14(11)19/h4-6,12,16,18,21H,7H2,1-3H3.
What are the key properties of 2,6-dihydroxy-1,1,7-trimethyl-10,10a-dihydro-2H-phenanthrene-3,9-dione?
2,6-dihydroxy-1,1,7-trimethyl-10,10a-dihydro-2H-phenanthrene-3,9-dione has a molecular weight of 286.33 g/mol, XLogP of 2.26, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-1,1,7-trimethyl-10,10a-dihydro-2H-phenanthrene-3,9-dione is sourced from PubChem (CID 56677956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).