7-hydroxy-3a,9b-dimethyl-1,2,4,5-tetrahydrocyclopenta[a]naphthalen-3-one

C15H18O2 — CID 12702349

IUPAC7-hydroxy-3a,9b-dimethyl-1,2,4,5-tetrahydrocyclopenta[a]naphthalen-3-one
SMILESCC12CCc3cc(O)ccc3C1(C)CCC2=O
InChIInChI=1S/C15H18O2/c1-14-8-6-13(17)15(14,2)7-5-10-9-11(16)3-4-12(10)14/h3-4,9,16H,5-8H2,1-2H3
InChIKeyQEAGJKNCJFGCLX-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.97
Rot. Bonds

About 7-hydroxy-3a,9b-dimethyl-1,2,4,5-tetrahydrocyclopenta[a]naphthalen-3-one

7-hydroxy-3a,9b-dimethyl-1,2,4,5-tetrahydrocyclopenta[a]naphthalen-3-one (PubChem CID 12702349) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 7-hydroxy-3a,9b-dimethyl-1,2,4,5-tetrahydrocyclopenta[a]naphthalen-3-one.

Molecular Properties

Compound Name7-hydroxy-3a,9b-dimethyl-1,2,4,5-tetrahydrocyclopenta[a]naphthalen-3-one
PubChem CID12702349
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name7-hydroxy-3a,9b-dimethyl-1,2,4,5-tetrahydrocyclopenta[a]naphthalen-3-one
SMILESCC12CCc3cc(O)ccc3C1(C)CCC2=O
InChIInChI=1S/C15H18O2/c1-14-8-6-13(17)15(14,2)7-5-10-9-11(16)3-4-12(10)14/h3-4,9,16H,5-8H2,1-2H3
InChIKeyQEAGJKNCJFGCLX-UHFFFAOYSA-N
XLogP2.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR,6aR)-3a,6a-dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione
CID 2802599
1,5-dihydroxy-2,3-dihydroindene-1-carbaldehyde
CID 105437335
5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepin-8-ol
CID 168876491
1-isocyanato-1-methyl-2,3-dihydroinden-5-ol
CID 115017736
1-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydroinden-5-ol
CID 162670528
4-(7-hydroxy-2-methyl-3,4-dihydrochromen-2-yl)benzene-1,3-diol
CID 10683586
1-(2-hydroxy-2-methylpropyl)-1-methyl-2,3-dihydroinden-5-ol
CID 66557208
1-(hydroxymethyl)-2,3-dihydroindene-1,5-diol
CID 105438625
7-hydroxy-4a-methyl-3,4,9,10-tetrahydrophenanthren-2-one;7-methoxy-4a-methyl-3,4,9,10-tetrahydrophenanthren-2-one
CID 157082028
(1R)-1-ethenyl-3,4-dihydro-2H-naphthalene-1,6-diol
CID 162911298
7-hydroxy-1,1,3,3-tetramethyl-4H-naphthalen-2-one
CID 165352303
(3R,4aR,10aR)-4a-ethyl-3,7-dihydroxy-3-methyl-4,9,10,10a-tetrahydro-1H-phenanthren-2-one
CID 58742307

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3a,9b-dimethyl-1,2,4,5-tetrahydrocyclopenta[a]naphthalen-3-one?
The IUPAC name of 7-hydroxy-3a,9b-dimethyl-1,2,4,5-tetrahydrocyclopenta[a]naphthalen-3-one (CID 12702349) is 7-hydroxy-3a,9b-dimethyl-1,2,4,5-tetrahydrocyclopenta[a]naphthalen-3-one.
What is the SMILES notation for 7-hydroxy-3a,9b-dimethyl-1,2,4,5-tetrahydrocyclopenta[a]naphthalen-3-one?
The canonical SMILES for 7-hydroxy-3a,9b-dimethyl-1,2,4,5-tetrahydrocyclopenta[a]naphthalen-3-one is CC12CCc3cc(O)ccc3C1(C)CCC2=O.
What is the InChIKey of 7-hydroxy-3a,9b-dimethyl-1,2,4,5-tetrahydrocyclopenta[a]naphthalen-3-one?
The InChIKey is QEAGJKNCJFGCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-14-8-6-13(17)15(14,2)7-5-10-9-11(16)3-4-12(10)14/h3-4,9,16H,5-8H2,1-2H3.
What are the key properties of 7-hydroxy-3a,9b-dimethyl-1,2,4,5-tetrahydrocyclopenta[a]naphthalen-3-one?
7-hydroxy-3a,9b-dimethyl-1,2,4,5-tetrahydrocyclopenta[a]naphthalen-3-one has a molecular weight of 230.31 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3a,9b-dimethyl-1,2,4,5-tetrahydrocyclopenta[a]naphthalen-3-one is sourced from PubChem (CID 12702349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).