4'-methoxy-6-propan-2-yloxyspiro[3H-indene-2,1'-cyclohexane]-1-one

C18H24O3 — CID 58197828

IUPAC4'-methoxy-6-propan-2-yloxyspiro[3H-indene-2,1'-cyclohexane]-1-one
SMILESCOC1CCC2(CC1)Cc1ccc(OC(C)C)cc1C2=O
InChIInChI=1S/C18H24O3/c1-12(2)21-15-5-4-13-11-18(17(19)16(13)10-15)8-6-14(20-3)7-9-18/h4-5,10,12,14H,6-9,11H2,1-3H3
InChIKeyPXIQZRLLKYPOEN-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.79
Rot. Bonds3

About 4'-methoxy-6-propan-2-yloxyspiro[3H-indene-2,1'-cyclohexane]-1-one

4'-methoxy-6-propan-2-yloxyspiro[3H-indene-2,1'-cyclohexane]-1-one (PubChem CID 58197828) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4'-methoxy-6-propan-2-yloxyspiro[3H-indene-2,1'-cyclohexane]-1-one.

Molecular Properties

Compound Name4'-methoxy-6-propan-2-yloxyspiro[3H-indene-2,1'-cyclohexane]-1-one
PubChem CID58197828
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name4'-methoxy-6-propan-2-yloxyspiro[3H-indene-2,1'-cyclohexane]-1-one
SMILESCOC1CCC2(CC1)Cc1ccc(OC(C)C)cc1C2=O
InChIInChI=1S/C18H24O3/c1-12(2)21-15-5-4-13-11-18(17(19)16(13)10-15)8-6-14(20-3)7-9-18/h4-5,10,12,14H,6-9,11H2,1-3H3
InChIKeyPXIQZRLLKYPOEN-UHFFFAOYSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4'-methoxy-6-propan-2-yloxyspiro[3H-indene-2,1'-cyclohexane]-1-one 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 4'-methoxy-6-propan-2-yloxyspiro[3H-indene-2,1'-cyclohexane]-1-one?
The IUPAC name of 4'-methoxy-6-propan-2-yloxyspiro[3H-indene-2,1'-cyclohexane]-1-one (CID 58197828) is 4'-methoxy-6-propan-2-yloxyspiro[3H-indene-2,1'-cyclohexane]-1-one.
What is the SMILES notation for 4'-methoxy-6-propan-2-yloxyspiro[3H-indene-2,1'-cyclohexane]-1-one?
The canonical SMILES for 4'-methoxy-6-propan-2-yloxyspiro[3H-indene-2,1'-cyclohexane]-1-one is COC1CCC2(CC1)Cc1ccc(OC(C)C)cc1C2=O.
What is the InChIKey of 4'-methoxy-6-propan-2-yloxyspiro[3H-indene-2,1'-cyclohexane]-1-one?
The InChIKey is PXIQZRLLKYPOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-12(2)21-15-5-4-13-11-18(17(19)16(13)10-15)8-6-14(20-3)7-9-18/h4-5,10,12,14H,6-9,11H2,1-3H3.
What are the key properties of 4'-methoxy-6-propan-2-yloxyspiro[3H-indene-2,1'-cyclohexane]-1-one?
4'-methoxy-6-propan-2-yloxyspiro[3H-indene-2,1'-cyclohexane]-1-one has a molecular weight of 288.39 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-methoxy-6-propan-2-yloxyspiro[3H-indene-2,1'-cyclohexane]-1-one is sourced from PubChem (CID 58197828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).