7-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one

C15H24O3 — CID 78076085

IUPAC7-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one
SMILESCC1=CC(=O)CC2(C)CC(O)C(C(C)(C)O)CC12
InChIInChI=1S/C15H24O3/c1-9-5-10(16)7-15(4)8-13(17)12(6-11(9)15)14(2,3)18/h5,11-13,17-18H,6-8H2,1-4H3
InChIKeyMEPRCLDIBSGQBP-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.07
Rot. Bonds1

About 7-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one

7-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one (PubChem CID 78076085) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 7-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one.

Molecular Properties

Compound Name7-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one
PubChem CID78076085
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name7-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one
SMILESCC1=CC(=O)CC2(C)CC(O)C(C(C)(C)O)CC12
InChIInChI=1S/C15H24O3/c1-9-5-10(16)7-15(4)8-13(17)12(6-11(9)15)14(2,3)18/h5,11-13,17-18H,6-8H2,1-4H3
InChIKeyMEPRCLDIBSGQBP-UHFFFAOYSA-N
XLogP2.07
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one with MolForge

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Related Compounds

6-(3-hydroxyprop-1-en-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one
CID 565632
5,8a-dimethyl-3-methylidene-3a,4,4a,8,9,9a-hexahydrobenzo[f][1]benzofuran-2,7-dione
CID 4528511
(4aS,6S,8aR)-4,8a-dimethyl-6-[(2E)-6-methyl-4-oxohepta-2,5-dien-2-yl]-1,4a,5,6,7,8-hexahydronaphthalen-2-one
CID 102135965
4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one
CID 566734
(4aR,6R,8aR)-6-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-4a,5,7,8-tetrahydro-1H-naphthalen-2-one
CID 162961713
(6R,8aR)-6-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-4a,5,7,8-tetrahydro-1H-naphthalen-2-one
CID 118477105
4a,8-dimethyl-3,4,5,8a-tetrahydro-1H-naphthalene-2,6-dione
CID 162866952
(3S,4aS,5S,8aR)-3-(2-hydroxypropan-2-yl)-5,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-2-ol
CID 44559304
(4aR,6R,8R,8aR)-8-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-1,4a,5,6,7,8-hexahydronaphthalen-2-one
CID 24786662
copper;3,5,5-trimethylcyclohex-2-en-1-one
CID 159197874
4-(hydroxymethyl)-3,5,5-trimethylcyclohex-2-en-1-one
CID 85401037
2-[(2R,4aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-ol;methane
CID 157399414

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one?
The IUPAC name of 7-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one (CID 78076085) is 7-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one.
What is the SMILES notation for 7-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one?
The canonical SMILES for 7-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one is CC1=CC(=O)CC2(C)CC(O)C(C(C)(C)O)CC12.
What is the InChIKey of 7-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one?
The InChIKey is MEPRCLDIBSGQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-9-5-10(16)7-15(4)8-13(17)12(6-11(9)15)14(2,3)18/h5,11-13,17-18H,6-8H2,1-4H3.
What are the key properties of 7-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one?
7-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one has a molecular weight of 252.35 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one is sourced from PubChem (CID 78076085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).