2,2-dimethyl-1-[(4R)-4-methyl-3,4-dihydro-2H-chromen-6-yl]propan-1-one

C15H20O2 — CID 66805335

IUPAC2,2-dimethyl-1-[(4R)-4-methyl-3,4-dihydro-2H-chromen-6-yl]propan-1-one
SMILESC[C@@H]1CCOc2ccc(C(=O)C(C)(C)C)cc21
InChIInChI=1S/C15H20O2/c1-10-7-8-17-13-6-5-11(9-12(10)13)14(16)15(2,3)4/h5-6,9-10H,7-8H2,1-4H3/t10-/m1/s1
InChIKeyWIXTZVOLQGFXMJ-SNVBAGLBSA-N
MW232.32 g/mol
LogP3.80
Rot. Bonds1

About 2,2-dimethyl-1-[(4R)-4-methyl-3,4-dihydro-2H-chromen-6-yl]propan-1-one

2,2-dimethyl-1-[(4R)-4-methyl-3,4-dihydro-2H-chromen-6-yl]propan-1-one (PubChem CID 66805335) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(4R)-4-methyl-3,4-dihydro-2H-chromen-6-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[(4R)-4-methyl-3,4-dihydro-2H-chromen-6-yl]propan-1-one
PubChem CID66805335
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2,2-dimethyl-1-[(4R)-4-methyl-3,4-dihydro-2H-chromen-6-yl]propan-1-one
SMILESC[C@@H]1CCOc2ccc(C(=O)C(C)(C)C)cc21
InChIInChI=1S/C15H20O2/c1-10-7-8-17-13-6-5-11(9-12(10)13)14(16)15(2,3)4/h5-6,9-10H,7-8H2,1-4H3/t10-/m1/s1
InChIKeyWIXTZVOLQGFXMJ-SNVBAGLBSA-N
XLogP3.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-[(4R)-4-methyl-3,4-dihydro-2H-chromen-7-yl]propan-1-one
CID 66805355
4-methyl-3,4-dihydro-2H-chromene-6-carbonyl chloride
CID 11074678
(E)-N-methyl-2-(4-methyl-3,4-dihydro-2H-chromen-6-yl)prop-1-en-1-amine
CID 142904320
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-one
CID 43160515
6-iodo-4-methyl-3,4-dihydro-2H-chromene
CID 10612333
4-(ethylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid
CID 105477435
6-(2,2-dimethylpropanoyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 43162307
methyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylcarbamothioylamino]-3,4-dihydro-2H-chromene-6-carboxylate
CID 168919146
2-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropan-1-one
CID 116560166
1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one
CID 63709569
1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxy-2-methylpropan-1-one
CID 103446306
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide
CID 110751259

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(4R)-4-methyl-3,4-dihydro-2H-chromen-6-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[(4R)-4-methyl-3,4-dihydro-2H-chromen-6-yl]propan-1-one (CID 66805335) is 2,2-dimethyl-1-[(4R)-4-methyl-3,4-dihydro-2H-chromen-6-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[(4R)-4-methyl-3,4-dihydro-2H-chromen-6-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[(4R)-4-methyl-3,4-dihydro-2H-chromen-6-yl]propan-1-one is C[C@@H]1CCOc2ccc(C(=O)C(C)(C)C)cc21.
What is the InChIKey of 2,2-dimethyl-1-[(4R)-4-methyl-3,4-dihydro-2H-chromen-6-yl]propan-1-one?
The InChIKey is WIXTZVOLQGFXMJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20O2/c1-10-7-8-17-13-6-5-11(9-12(10)13)14(16)15(2,3)4/h5-6,9-10H,7-8H2,1-4H3/t10-/m1/s1.
What are the key properties of 2,2-dimethyl-1-[(4R)-4-methyl-3,4-dihydro-2H-chromen-6-yl]propan-1-one?
2,2-dimethyl-1-[(4R)-4-methyl-3,4-dihydro-2H-chromen-6-yl]propan-1-one has a molecular weight of 232.32 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(4R)-4-methyl-3,4-dihydro-2H-chromen-6-yl]propan-1-one is sourced from PubChem (CID 66805335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).