7-hydroxy-3'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one

C15H18O3 — CID 47001263

IUPAC7-hydroxy-3'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
SMILESCC1CCCC2(CC(=O)c3ccc(O)cc3O2)C1
InChIInChI=1S/C15H18O3/c1-10-3-2-6-15(8-10)9-13(17)12-5-4-11(16)7-14(12)18-15/h4-5,7,10,16H,2-3,6,8-9H2,1H3
InChIKeyDSODKSULHXYBLA-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.31
Rot. Bonds

About 7-hydroxy-3'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one

7-hydroxy-3'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one (PubChem CID 47001263) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 7-hydroxy-3'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name7-hydroxy-3'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
PubChem CID47001263
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name7-hydroxy-3'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
SMILESCC1CCCC2(CC(=O)c3ccc(O)cc3O2)C1
InChIInChI=1S/C15H18O3/c1-10-3-2-6-15(8-10)9-13(17)12-5-4-11(16)7-14(12)18-15/h4-5,7,10,16H,2-3,6,8-9H2,1H3
InChIKeyDSODKSULHXYBLA-UHFFFAOYSA-N
XLogP3.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one?
The IUPAC name of 7-hydroxy-3'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one (CID 47001263) is 7-hydroxy-3'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one.
What is the SMILES notation for 7-hydroxy-3'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one?
The canonical SMILES for 7-hydroxy-3'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one is CC1CCCC2(CC(=O)c3ccc(O)cc3O2)C1.
What is the InChIKey of 7-hydroxy-3'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one?
The InChIKey is DSODKSULHXYBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-10-3-2-6-15(8-10)9-13(17)12-5-4-11(16)7-14(12)18-15/h4-5,7,10,16H,2-3,6,8-9H2,1H3.
What are the key properties of 7-hydroxy-3'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one?
7-hydroxy-3'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one has a molecular weight of 246.31 g/mol, XLogP of 3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one is sourced from PubChem (CID 47001263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).