2',2'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one

C15H18O3 — CID 114671404

IUPAC2',2'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one
SMILESCC1(C)CC2(CCO1)CC(=O)c1ccccc1O2
InChIInChI=1S/C15H18O3/c1-14(2)10-15(7-8-17-14)9-12(16)11-5-3-4-6-13(11)18-15/h3-6H,7-10H2,1-2H3
InChIKeyABCDMRWUKCSANY-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.98
Rot. Bonds

About 2',2'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one

2',2'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one (PubChem CID 114671404) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2',2'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one.

Molecular Properties

Compound Name2',2'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one
PubChem CID114671404
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name2',2'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one
SMILESCC1(C)CC2(CCO1)CC(=O)c1ccccc1O2
InChIInChI=1S/C15H18O3/c1-14(2)10-15(7-8-17-14)9-12(16)11-5-3-4-6-13(11)18-15/h3-6H,7-10H2,1-2H3
InChIKeyABCDMRWUKCSANY-UHFFFAOYSA-N
XLogP2.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3H-chromen-4-one;ethane
CID 90690524
1'-methylspiro[3H-chromene-2,4'-piperidin-1-ium]-4-one
CID 7219629
spiro[3H-chromene-2,4'-azepane]-4-one
CID 59312111
2-methylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,2'-3H-chromene]-4'-one
CID 18723438
1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 114671516
1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260499
1'-(morpholine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 126468398
2-(hydroxymethyl)-2-methyl-3H-chromen-4-one
CID 121218657
1'-(1-acetylpiperidine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734267
N-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)formamide
CID 54242450
(2R)-2-(dimethoxymethyl)-2-methyl-3H-chromen-4-one
CID 124578802
1'-(4-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260663

Frequently Asked Questions

What is the IUPAC name of 2',2'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one?
The IUPAC name of 2',2'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one (CID 114671404) is 2',2'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one.
What is the SMILES notation for 2',2'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one?
The canonical SMILES for 2',2'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one is CC1(C)CC2(CCO1)CC(=O)c1ccccc1O2.
What is the InChIKey of 2',2'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one?
The InChIKey is ABCDMRWUKCSANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-14(2)10-15(7-8-17-14)9-12(16)11-5-3-4-6-13(11)18-15/h3-6H,7-10H2,1-2H3.
What are the key properties of 2',2'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one?
2',2'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one has a molecular weight of 246.31 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2',2'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one is sourced from PubChem (CID 114671404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).