1-(2,4-dihydroxy-4a,8,8-trimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl)ethanone

C15H26O3 — CID 85272695

IUPAC1-(2,4-dihydroxy-4a,8,8-trimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl)ethanone
SMILESCC(=O)C1C(O)CC(O)C2(C)CCCC(C)(C)C12
InChIInChI=1S/C15H26O3/c1-9(16)12-10(17)8-11(18)15(4)7-5-6-14(2,3)13(12)15/h10-13,17-18H,5-8H2,1-4H3
InChIKeyFIPQUFXNPGNDFR-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.15
Rot. Bonds1

About 1-(2,4-dihydroxy-4a,8,8-trimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl)ethanone

1-(2,4-dihydroxy-4a,8,8-trimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl)ethanone (PubChem CID 85272695) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(2,4-dihydroxy-4a,8,8-trimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dihydroxy-4a,8,8-trimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl)ethanone
PubChem CID85272695
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name1-(2,4-dihydroxy-4a,8,8-trimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl)ethanone
SMILESCC(=O)C1C(O)CC(O)C2(C)CCCC(C)(C)C12
InChIInChI=1S/C15H26O3/c1-9(16)12-10(17)8-11(18)15(4)7-5-6-14(2,3)13(12)15/h10-13,17-18H,5-8H2,1-4H3
InChIKeyFIPQUFXNPGNDFR-UHFFFAOYSA-N
XLogP2.15
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-dihydroxy-4a,8,8-trimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxy-4a,8,8-trimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl)ethanone?
The IUPAC name of 1-(2,4-dihydroxy-4a,8,8-trimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl)ethanone (CID 85272695) is 1-(2,4-dihydroxy-4a,8,8-trimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl)ethanone.
What is the SMILES notation for 1-(2,4-dihydroxy-4a,8,8-trimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl)ethanone?
The canonical SMILES for 1-(2,4-dihydroxy-4a,8,8-trimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl)ethanone is CC(=O)C1C(O)CC(O)C2(C)CCCC(C)(C)C12.
What is the InChIKey of 1-(2,4-dihydroxy-4a,8,8-trimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl)ethanone?
The InChIKey is FIPQUFXNPGNDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-9(16)12-10(17)8-11(18)15(4)7-5-6-14(2,3)13(12)15/h10-13,17-18H,5-8H2,1-4H3.
What are the key properties of 1-(2,4-dihydroxy-4a,8,8-trimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl)ethanone?
1-(2,4-dihydroxy-4a,8,8-trimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl)ethanone has a molecular weight of 254.37 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxy-4a,8,8-trimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl)ethanone is sourced from PubChem (CID 85272695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).