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

C18H24O2 — CID 58197960

IUPAC4'-methoxy-6-propan-2-ylspiro[3H-indene-2,1'-cyclohexane]-1-one
SMILESCOC1CCC2(CC1)Cc1ccc(C(C)C)cc1C2=O
InChIInChI=1S/C18H24O2/c1-12(2)13-4-5-14-11-18(17(19)16(14)10-13)8-6-15(20-3)7-9-18/h4-5,10,12,15H,6-9,11H2,1-3H3
InChIKeyZSSDWFVHOJVCGD-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.12
Rot. Bonds2

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

4'-methoxy-6-propan-2-ylspiro[3H-indene-2,1'-cyclohexane]-1-one (PubChem CID 58197960) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 4'-methoxy-6-propan-2-ylspiro[3H-indene-2,1'-cyclohexane]-1-one.

Molecular Properties

Compound Name4'-methoxy-6-propan-2-ylspiro[3H-indene-2,1'-cyclohexane]-1-one
PubChem CID58197960
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name4'-methoxy-6-propan-2-ylspiro[3H-indene-2,1'-cyclohexane]-1-one
SMILESCOC1CCC2(CC1)Cc1ccc(C(C)C)cc1C2=O
InChIInChI=1S/C18H24O2/c1-12(2)13-4-5-14-11-18(17(19)16(14)10-13)8-6-15(20-3)7-9-18/h4-5,10,12,15H,6-9,11H2,1-3H3
InChIKeyZSSDWFVHOJVCGD-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4'-methoxy-6-propan-2-ylspiro[3H-indene-2,1'-cyclohexane]-1-one?
The IUPAC name of 4'-methoxy-6-propan-2-ylspiro[3H-indene-2,1'-cyclohexane]-1-one (CID 58197960) is 4'-methoxy-6-propan-2-ylspiro[3H-indene-2,1'-cyclohexane]-1-one.
What is the SMILES notation for 4'-methoxy-6-propan-2-ylspiro[3H-indene-2,1'-cyclohexane]-1-one?
The canonical SMILES for 4'-methoxy-6-propan-2-ylspiro[3H-indene-2,1'-cyclohexane]-1-one is COC1CCC2(CC1)Cc1ccc(C(C)C)cc1C2=O.
What is the InChIKey of 4'-methoxy-6-propan-2-ylspiro[3H-indene-2,1'-cyclohexane]-1-one?
The InChIKey is ZSSDWFVHOJVCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-12(2)13-4-5-14-11-18(17(19)16(14)10-13)8-6-15(20-3)7-9-18/h4-5,10,12,15H,6-9,11H2,1-3H3.
What are the key properties of 4'-methoxy-6-propan-2-ylspiro[3H-indene-2,1'-cyclohexane]-1-one?
4'-methoxy-6-propan-2-ylspiro[3H-indene-2,1'-cyclohexane]-1-one has a molecular weight of 272.39 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-methoxy-6-propan-2-ylspiro[3H-indene-2,1'-cyclohexane]-1-one is sourced from PubChem (CID 58197960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).