6-methoxy-2',6'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one

C16H20O4 — CID 114673893

IUPAC6-methoxy-2',6'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one
SMILESCOc1ccc2c(c1)C(=O)CC1(CC(C)OC(C)C1)O2
InChIInChI=1S/C16H20O4/c1-10-7-16(8-11(2)19-10)9-14(17)13-6-12(18-3)4-5-15(13)20-16/h4-6,10-11H,7-9H2,1-3H3
InChIKeyAYTIGQDMMFPVNT-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.99
Rot. Bonds1

About 6-methoxy-2',6'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one

6-methoxy-2',6'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one (PubChem CID 114673893) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is 6-methoxy-2',6'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one.

Molecular Properties

Compound Name6-methoxy-2',6'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one
PubChem CID114673893
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name6-methoxy-2',6'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one
SMILESCOc1ccc2c(c1)C(=O)CC1(CC(C)OC(C)C1)O2
InChIInChI=1S/C16H20O4/c1-10-7-16(8-11(2)19-10)9-14(17)13-6-12(18-3)4-5-15(13)20-16/h4-6,10-11H,7-9H2,1-3H3
InChIKeyAYTIGQDMMFPVNT-UHFFFAOYSA-N
XLogP2.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxyspiro[3H-chromene-2,3'-azetidine]-4-one
CID 121207107
6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
CID 67468525
6-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-piperidine]-4-one
CID 67986565
2-ethyl-6-methoxy-2-methyl-3H-chromen-4-one
CID 114673827
(2R)-2-(difluoromethyl)-2-hydroxy-6-methoxy-3H-chromen-4-one
CID 871802
6-methoxy-1'-(thiophene-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735730
6-methoxy-2-methyl-2-propyl-3H-chromen-4-one
CID 114673953
6-fluoro-3'-methoxyspiro[3H-chromene-2,1'-cyclobutane]-4-one
CID 106825069
2-ethyl-6-methoxy-2-(methoxymethyl)-3H-chromen-4-one
CID 114673860
6-methoxy-1'-(2,2,2-trifluoroacetyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108768625
[4-(6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] acetate
CID 108735604
6-methoxy-1'-(3-methylbutanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758735

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2',6'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one?
The IUPAC name of 6-methoxy-2',6'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one (CID 114673893) is 6-methoxy-2',6'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one.
What is the SMILES notation for 6-methoxy-2',6'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one?
The canonical SMILES for 6-methoxy-2',6'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one is COc1ccc2c(c1)C(=O)CC1(CC(C)OC(C)C1)O2.
What is the InChIKey of 6-methoxy-2',6'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one?
The InChIKey is AYTIGQDMMFPVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-10-7-16(8-11(2)19-10)9-14(17)13-6-12(18-3)4-5-15(13)20-16/h4-6,10-11H,7-9H2,1-3H3.
What are the key properties of 6-methoxy-2',6'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one?
6-methoxy-2',6'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one has a molecular weight of 276.33 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2',6'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one is sourced from PubChem (CID 114673893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).