5-chloro-3-hydroxy-3-methylspiro[1H-indene-2,4'-cyclohexane]-1'-one

C15H17ClO2 — CID 159045261

IUPAC5-chloro-3-hydroxy-3-methylspiro[1H-indene-2,4'-cyclohexane]-1'-one
SMILESCC1(O)c2cc(Cl)ccc2CC12CCC(=O)CC2
InChIInChI=1S/C15H17ClO2/c1-14(18)13-8-11(16)3-2-10(13)9-15(14)6-4-12(17)5-7-15/h2-3,8,18H,4-7,9H2,1H3
InChIKeyRYHVKJVAQCDDRV-UHFFFAOYSA-N
MW264.75 g/mol
LogP3.23
Rot. Bonds

About 5-chloro-3-hydroxy-3-methylspiro[1H-indene-2,4'-cyclohexane]-1'-one

5-chloro-3-hydroxy-3-methylspiro[1H-indene-2,4'-cyclohexane]-1'-one (PubChem CID 159045261) has the molecular formula C15H17ClO2 and a molecular weight of 264.75 g/mol. Its IUPAC name is 5-chloro-3-hydroxy-3-methylspiro[1H-indene-2,4'-cyclohexane]-1'-one.

Molecular Properties

Compound Name5-chloro-3-hydroxy-3-methylspiro[1H-indene-2,4'-cyclohexane]-1'-one
PubChem CID159045261
Molecular FormulaC15H17ClO2
Molecular Weight264.75 g/mol
Exact Mass264.09
IUPAC Name5-chloro-3-hydroxy-3-methylspiro[1H-indene-2,4'-cyclohexane]-1'-one
SMILESCC1(O)c2cc(Cl)ccc2CC12CCC(=O)CC2
InChIInChI=1S/C15H17ClO2/c1-14(18)13-8-11(16)3-2-10(13)9-15(14)6-4-12(17)5-7-15/h2-3,8,18H,4-7,9H2,1H3
InChIKeyRYHVKJVAQCDDRV-UHFFFAOYSA-N
XLogP3.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-hydroxy-3-methylspiro[1H-indene-2,4'-cyclohexane]-1'-one?
The IUPAC name of 5-chloro-3-hydroxy-3-methylspiro[1H-indene-2,4'-cyclohexane]-1'-one (CID 159045261) is 5-chloro-3-hydroxy-3-methylspiro[1H-indene-2,4'-cyclohexane]-1'-one.
What is the SMILES notation for 5-chloro-3-hydroxy-3-methylspiro[1H-indene-2,4'-cyclohexane]-1'-one?
The canonical SMILES for 5-chloro-3-hydroxy-3-methylspiro[1H-indene-2,4'-cyclohexane]-1'-one is CC1(O)c2cc(Cl)ccc2CC12CCC(=O)CC2.
What is the InChIKey of 5-chloro-3-hydroxy-3-methylspiro[1H-indene-2,4'-cyclohexane]-1'-one?
The InChIKey is RYHVKJVAQCDDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO2/c1-14(18)13-8-11(16)3-2-10(13)9-15(14)6-4-12(17)5-7-15/h2-3,8,18H,4-7,9H2,1H3.
What are the key properties of 5-chloro-3-hydroxy-3-methylspiro[1H-indene-2,4'-cyclohexane]-1'-one?
5-chloro-3-hydroxy-3-methylspiro[1H-indene-2,4'-cyclohexane]-1'-one has a molecular weight of 264.75 g/mol, XLogP of 3.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-hydroxy-3-methylspiro[1H-indene-2,4'-cyclohexane]-1'-one is sourced from PubChem (CID 159045261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).