1-(2-methoxy-2-methylchromen-3-yl)ethanone

C13H14O3 — CID 102125757

IUPAC1-(2-methoxy-2-methylchromen-3-yl)ethanone
SMILESCOC1(C)Oc2ccccc2C=C1C(C)=O
InChIInChI=1S/C13H14O3/c1-9(14)11-8-10-6-4-5-7-12(10)16-13(11,2)15-3/h4-8H,1-3H3
InChIKeyARLZRQVYHOACEI-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.41
Rot. Bonds2

About 1-(2-methoxy-2-methylchromen-3-yl)ethanone

1-(2-methoxy-2-methylchromen-3-yl)ethanone (PubChem CID 102125757) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 1-(2-methoxy-2-methylchromen-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-methoxy-2-methylchromen-3-yl)ethanone
PubChem CID102125757
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name1-(2-methoxy-2-methylchromen-3-yl)ethanone
SMILESCOC1(C)Oc2ccccc2C=C1C(C)=O
InChIInChI=1S/C13H14O3/c1-9(14)11-8-10-6-4-5-7-12(10)16-13(11,2)15-3/h4-8H,1-3H3
InChIKeyARLZRQVYHOACEI-UHFFFAOYSA-N
XLogP2.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-methoxy-2-methylchromen-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-hydroxy-2-methylchromene-3-carboxylate
CID 102081434
N-(diaminomethylidene)-2,2-dimethylchromene-3-carboxamide
CID 10220496
2-(2-methoxyphenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 142774404
2-methoxy-2-methyl-1-benzofuran-3-one
CID 13400306
(2S)-2-(2-methoxyethoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 99992703
ethyl 2-ethyl-2-(trifluoromethyl)chromene-3-carboxylate
CID 151697551
ethyl 3-hydroxy-2-methylchromene-2-carboxylate
CID 151498146
2-sulfanyloxy-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 141098191
2-(methylamino)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 142774364
2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 154448945
(2Z,4E)-5-(2,2-dimethylchromen-3-yl)-3-methylpenta-2,4-dienoic acid
CID 11448602
2-(2,2-dimethylpropylamino)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 141098044

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-methylchromen-3-yl)ethanone?
The IUPAC name of 1-(2-methoxy-2-methylchromen-3-yl)ethanone (CID 102125757) is 1-(2-methoxy-2-methylchromen-3-yl)ethanone.
What is the SMILES notation for 1-(2-methoxy-2-methylchromen-3-yl)ethanone?
The canonical SMILES for 1-(2-methoxy-2-methylchromen-3-yl)ethanone is COC1(C)Oc2ccccc2C=C1C(C)=O.
What is the InChIKey of 1-(2-methoxy-2-methylchromen-3-yl)ethanone?
The InChIKey is ARLZRQVYHOACEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-9(14)11-8-10-6-4-5-7-12(10)16-13(11,2)15-3/h4-8H,1-3H3.
What are the key properties of 1-(2-methoxy-2-methylchromen-3-yl)ethanone?
1-(2-methoxy-2-methylchromen-3-yl)ethanone has a molecular weight of 218.25 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-methylchromen-3-yl)ethanone is sourced from PubChem (CID 102125757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).