1-(2,2-dimethylchromen-4-yl)ethanone;ethane

C17H26O2 — CID 91394959

IUPAC1-(2,2-dimethylchromen-4-yl)ethanone;ethane
SMILESCC.CC.CC(=O)C1=CC(C)(C)Oc2ccccc21
InChIInChI=1S/C13H14O2.2C2H6/c1-9(14)11-8-13(2,3)15-12-7-5-4-6-10(11)12;2*1-2/h4-8H,1-3H3;2*1-2H3
InChIKeyRRGYQPGGAMBMRR-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.88
Rot. Bonds1

About 1-(2,2-dimethylchromen-4-yl)ethanone;ethane

1-(2,2-dimethylchromen-4-yl)ethanone;ethane (PubChem CID 91394959) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-(2,2-dimethylchromen-4-yl)ethanone;ethane.

Molecular Properties

Compound Name1-(2,2-dimethylchromen-4-yl)ethanone;ethane
PubChem CID91394959
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-(2,2-dimethylchromen-4-yl)ethanone;ethane
SMILESCC.CC.CC(=O)C1=CC(C)(C)Oc2ccccc21
InChIInChI=1S/C13H14O2.2C2H6/c1-9(14)11-8-13(2,3)15-12-7-5-4-6-10(11)12;2*1-2/h4-8H,1-3H3;2*1-2H3
InChIKeyRRGYQPGGAMBMRR-UHFFFAOYSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-dimethylchromen-4-yl)ethanone;ethane 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

4-(2-hydroxyphenyl)-2,2-dimethylchromene-6-carboxylic acid
CID 58406905
(2R)-2-methyl-3-methylidene-1-benzofuran-2-carboxylic acid
CID 86339718
2,2-dimethyl-3H-chromen-4-one;ethane
CID 90690524
4-(3-fluorophenyl)-2,2-dimethylchromene
CID 10634686
4-(2-acetylpyrrol-1-yl)-2,2-dimethylchromene-6-carbonitrile
CID 15748996
1-(2,2-dimethylchromen-4-yl)-4-(hydroxymethyl)pyridin-2-one
CID 154246010
6-cyano-N-ethyl-2,2-dimethylchromene-4-carboxamide
CID 19939965
biphenylene;propan-2-one
CID 174440223
2-imino-1-(6-methylbenzo[c]chromen-6-yl)ethanone
CID 57231777
6,6-dimethylbenzo[c]chromene-9-carboxylic acid
CID 90880193
(1-benzylpyrrol-2-yl)-(2,2-dimethylchromen-4-yl)methanol
CID 42612405
2-methoxy-2-methyl-1-benzofuran-3-one
CID 13400306

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylchromen-4-yl)ethanone;ethane?
The IUPAC name of 1-(2,2-dimethylchromen-4-yl)ethanone;ethane (CID 91394959) is 1-(2,2-dimethylchromen-4-yl)ethanone;ethane.
What is the SMILES notation for 1-(2,2-dimethylchromen-4-yl)ethanone;ethane?
The canonical SMILES for 1-(2,2-dimethylchromen-4-yl)ethanone;ethane is CC.CC.CC(=O)C1=CC(C)(C)Oc2ccccc21.
What is the InChIKey of 1-(2,2-dimethylchromen-4-yl)ethanone;ethane?
The InChIKey is RRGYQPGGAMBMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2.2C2H6/c1-9(14)11-8-13(2,3)15-12-7-5-4-6-10(11)12;2*1-2/h4-8H,1-3H3;2*1-2H3.
What are the key properties of 1-(2,2-dimethylchromen-4-yl)ethanone;ethane?
1-(2,2-dimethylchromen-4-yl)ethanone;ethane has a molecular weight of 262.39 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylchromen-4-yl)ethanone;ethane is sourced from PubChem (CID 91394959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).