5'-hydroxy-5',7'-dimethylspiro[cyclobutane-1,6'-indene]-4'-one

C14H16O2 — CID 11148637

IUPAC5'-hydroxy-5',7'-dimethylspiro[cyclobutane-1,6'-indene]-4'-one
SMILESCC1=C2C=CC=C2C(=O)C(C)(O)C12CCC2
InChIInChI=1S/C14H16O2/c1-9-10-5-3-6-11(10)12(15)13(2,16)14(9)7-4-8-14/h3,5-6,16H,4,7-8H2,1-2H3
InChIKeyWJILVVOYZURNCB-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.30
Rot. Bonds

About 5'-hydroxy-5',7'-dimethylspiro[cyclobutane-1,6'-indene]-4'-one

5'-hydroxy-5',7'-dimethylspiro[cyclobutane-1,6'-indene]-4'-one (PubChem CID 11148637) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 5'-hydroxy-5',7'-dimethylspiro[cyclobutane-1,6'-indene]-4'-one.

Molecular Properties

Compound Name5'-hydroxy-5',7'-dimethylspiro[cyclobutane-1,6'-indene]-4'-one
PubChem CID11148637
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name5'-hydroxy-5',7'-dimethylspiro[cyclobutane-1,6'-indene]-4'-one
SMILESCC1=C2C=CC=C2C(=O)C(C)(O)C12CCC2
InChIInChI=1S/C14H16O2/c1-9-10-5-3-6-11(10)12(15)13(2,16)14(9)7-4-8-14/h3,5-6,16H,4,7-8H2,1-2H3
InChIKeyWJILVVOYZURNCB-UHFFFAOYSA-N
XLogP2.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5'-hydroxy-5',7'-dimethylspiro[cyclobutane-1,6'-indene]-4'-one?
The IUPAC name of 5'-hydroxy-5',7'-dimethylspiro[cyclobutane-1,6'-indene]-4'-one (CID 11148637) is 5'-hydroxy-5',7'-dimethylspiro[cyclobutane-1,6'-indene]-4'-one.
What is the SMILES notation for 5'-hydroxy-5',7'-dimethylspiro[cyclobutane-1,6'-indene]-4'-one?
The canonical SMILES for 5'-hydroxy-5',7'-dimethylspiro[cyclobutane-1,6'-indene]-4'-one is CC1=C2C=CC=C2C(=O)C(C)(O)C12CCC2.
What is the InChIKey of 5'-hydroxy-5',7'-dimethylspiro[cyclobutane-1,6'-indene]-4'-one?
The InChIKey is WJILVVOYZURNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-9-10-5-3-6-11(10)12(15)13(2,16)14(9)7-4-8-14/h3,5-6,16H,4,7-8H2,1-2H3.
What are the key properties of 5'-hydroxy-5',7'-dimethylspiro[cyclobutane-1,6'-indene]-4'-one?
5'-hydroxy-5',7'-dimethylspiro[cyclobutane-1,6'-indene]-4'-one has a molecular weight of 216.28 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-hydroxy-5',7'-dimethylspiro[cyclobutane-1,6'-indene]-4'-one is sourced from PubChem (CID 11148637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).