4'-hydroxy-6-(2-methylpropoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one

C18H24O3 — CID 67979380

IUPAC4'-hydroxy-6-(2-methylpropoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one
SMILESCC(C)COc1ccc2c(c1)C(=O)C1(CCC(O)CC1)C2
InChIInChI=1S/C18H24O3/c1-12(2)11-21-15-4-3-13-10-18(17(20)16(13)9-15)7-5-14(19)6-8-18/h3-4,9,12,14,19H,5-8,10-11H2,1-2H3
InChIKeyCEIMHLMHRAVAIY-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.38
Rot. Bonds3

About 4'-hydroxy-6-(2-methylpropoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one

4'-hydroxy-6-(2-methylpropoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one (PubChem CID 67979380) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4'-hydroxy-6-(2-methylpropoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one.

Molecular Properties

Compound Name4'-hydroxy-6-(2-methylpropoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one
PubChem CID67979380
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name4'-hydroxy-6-(2-methylpropoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one
SMILESCC(C)COc1ccc2c(c1)C(=O)C1(CCC(O)CC1)C2
InChIInChI=1S/C18H24O3/c1-12(2)11-21-15-4-3-13-10-18(17(20)16(13)9-15)7-5-14(19)6-8-18/h3-4,9,12,14,19H,5-8,10-11H2,1-2H3
InChIKeyCEIMHLMHRAVAIY-UHFFFAOYSA-N
XLogP3.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4'-hydroxy-6-(2-methylpropoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one?
The IUPAC name of 4'-hydroxy-6-(2-methylpropoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one (CID 67979380) is 4'-hydroxy-6-(2-methylpropoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one.
What is the SMILES notation for 4'-hydroxy-6-(2-methylpropoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one?
The canonical SMILES for 4'-hydroxy-6-(2-methylpropoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one is CC(C)COc1ccc2c(c1)C(=O)C1(CCC(O)CC1)C2.
What is the InChIKey of 4'-hydroxy-6-(2-methylpropoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one?
The InChIKey is CEIMHLMHRAVAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-12(2)11-21-15-4-3-13-10-18(17(20)16(13)9-15)7-5-14(19)6-8-18/h3-4,9,12,14,19H,5-8,10-11H2,1-2H3.
What are the key properties of 4'-hydroxy-6-(2-methylpropoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one?
4'-hydroxy-6-(2-methylpropoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one has a molecular weight of 288.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-hydroxy-6-(2-methylpropoxy)spiro[3H-indene-2,1'-cyclohexane]-1-one is sourced from PubChem (CID 67979380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).