1-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethanone

C13H16O2 — CID 172679993

IUPAC1-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethanone
SMILESCC(=O)C1Cc2ccccc2OC1(C)C
InChIInChI=1S/C13H16O2/c1-9(14)11-8-10-6-4-5-7-12(10)15-13(11,2)3/h4-7,11H,8H2,1-3H3
InChIKeyAGLIZMURUPZWIY-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.61
Rot. Bonds1

About 1-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethanone

1-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethanone (PubChem CID 172679993) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethanone
PubChem CID172679993
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name1-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethanone
SMILESCC(=O)C1Cc2ccccc2OC1(C)C
InChIInChI=1S/C13H16O2/c1-9(14)11-8-10-6-4-5-7-12(10)15-13(11,2)3/h4-7,11H,8H2,1-3H3
InChIKeyAGLIZMURUPZWIY-UHFFFAOYSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-dimethyl-3,4-dihydrochromen-3-yl)prop-2-enoic acid
CID 91527429
(2,2-dimethyl-3,4-dihydrochromen-3-yl) 2-amino-2-methylpropanoate
CID 175925706
methyl 3-[(2,2-dimethyl-3,4-dihydrochromen-3-yl)amino]propanoate
CID 54420076
methyl 3-[(2,2-dimethyl-3,4-dihydrochromen-3-yl)methylamino]propanoate
CID 54254889
3-acetyl-3,4-dihydrochromen-2-one
CID 15418519
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 115780164
3,3'-dimethylidene-2,2'-spirobi[4H-chromene]
CID 19084225
methyl 2,3-dihydro-1-benzofuran-2-carboxylate;methyl 2-methyl-3H-1-benzofuran-2-carboxylate
CID 160696115
[1-[2-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethyl]-4-hydroxy-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate
CID 70384263
(4bR,10bR)-11,11-dimethyl-6,10b-dihydro-4bH-isochromeno[4,3-c]chromene
CID 102277489
(2S)-2-benzyl-2-methyl-3H-1-benzofuran
CID 134955555
(2S,3R)-3-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 163392607

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethanone?
The IUPAC name of 1-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethanone (CID 172679993) is 1-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethanone.
What is the SMILES notation for 1-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethanone?
The canonical SMILES for 1-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethanone is CC(=O)C1Cc2ccccc2OC1(C)C.
What is the InChIKey of 1-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethanone?
The InChIKey is AGLIZMURUPZWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-9(14)11-8-10-6-4-5-7-12(10)15-13(11,2)3/h4-7,11H,8H2,1-3H3.
What are the key properties of 1-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethanone?
1-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethanone has a molecular weight of 204.27 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethanone is sourced from PubChem (CID 172679993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).