3-methylspiro[2,3-dihydrochromene-4,2'-3H-pyran]-4'-one

C14H14O3 — CID 104524767

IUPAC3-methylspiro[2,3-dihydrochromene-4,2'-3H-pyran]-4'-one
SMILESCC1COc2ccccc2C12CC(=O)C=CO2
InChIInChI=1S/C14H14O3/c1-10-9-16-13-5-3-2-4-12(13)14(10)8-11(15)6-7-17-14/h2-7,10H,8-9H2,1H3
InChIKeyMROIGAFJDLHBMH-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.41
Rot. Bonds

About 3-methylspiro[2,3-dihydrochromene-4,2'-3H-pyran]-4'-one

3-methylspiro[2,3-dihydrochromene-4,2'-3H-pyran]-4'-one (PubChem CID 104524767) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-methylspiro[2,3-dihydrochromene-4,2'-3H-pyran]-4'-one.

Molecular Properties

Compound Name3-methylspiro[2,3-dihydrochromene-4,2'-3H-pyran]-4'-one
PubChem CID104524767
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name3-methylspiro[2,3-dihydrochromene-4,2'-3H-pyran]-4'-one
SMILESCC1COc2ccccc2C12CC(=O)C=CO2
InChIInChI=1S/C14H14O3/c1-10-9-16-13-5-3-2-4-12(13)14(10)8-11(15)6-7-17-14/h2-7,10H,8-9H2,1H3
InChIKeyMROIGAFJDLHBMH-UHFFFAOYSA-N
XLogP2.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5',5'-trimethylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one
CID 104524935
4-hydroxy-3-methyl-2,3-dihydrochromene-4-carbonitrile
CID 104524636
4-amino-3-methyl-2,3-dihydrochromene-4-carbonitrile
CID 104524420
3-methyl-N-propylspiro[2,3-dihydrochromene-4,2'-oxane]-4'-amine
CID 104524773
3-methyl-4-pyrrolidin-1-yl-2,3-dihydrochromene-4-carboxylic acid
CID 104524669
2,2-diphenyl-3H-pyran-4-one
CID 72942613
ethyl 2-[4-(dimethylamino)-3-methyl-2,3-dihydrochromen-4-yl]acetate
CID 104524790
3',5-dimethylspiro[1,3-thiazolidine-2,4'-2,3-dihydrochromene]
CID 104524724
methyl 3-methyl-4-(2-methylpropylamino)-2,3-dihydrochromene-4-carboxylate
CID 104524498
4-[acetyl(ethyl)amino]-3-methyl-2,3-dihydrochromene-4-carboxylic acid
CID 104524520
2-[3-methyl-4-(propylamino)-2,3-dihydrochromen-4-yl]acetic acid
CID 104524864
methyl 2-[4-(aminomethyl)-3-methyl-2,3-dihydrochromen-4-yl]acetate
CID 113422738

Frequently Asked Questions

What is the IUPAC name of 3-methylspiro[2,3-dihydrochromene-4,2'-3H-pyran]-4'-one?
The IUPAC name of 3-methylspiro[2,3-dihydrochromene-4,2'-3H-pyran]-4'-one (CID 104524767) is 3-methylspiro[2,3-dihydrochromene-4,2'-3H-pyran]-4'-one.
What is the SMILES notation for 3-methylspiro[2,3-dihydrochromene-4,2'-3H-pyran]-4'-one?
The canonical SMILES for 3-methylspiro[2,3-dihydrochromene-4,2'-3H-pyran]-4'-one is CC1COc2ccccc2C12CC(=O)C=CO2.
What is the InChIKey of 3-methylspiro[2,3-dihydrochromene-4,2'-3H-pyran]-4'-one?
The InChIKey is MROIGAFJDLHBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-10-9-16-13-5-3-2-4-12(13)14(10)8-11(15)6-7-17-14/h2-7,10H,8-9H2,1H3.
What are the key properties of 3-methylspiro[2,3-dihydrochromene-4,2'-3H-pyran]-4'-one?
3-methylspiro[2,3-dihydrochromene-4,2'-3H-pyran]-4'-one has a molecular weight of 230.26 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylspiro[2,3-dihydrochromene-4,2'-3H-pyran]-4'-one is sourced from PubChem (CID 104524767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).