1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one

C14H18O2 — CID 63709569

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CCOc2ccccc21
InChIInChI=1S/C14H18O2/c1-14(2,3)13(15)11-8-9-16-12-7-5-4-6-10(11)12/h4-7,11H,8-9H2,1-3H3
InChIKeyZERIJVPVQLRVTQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.17
Rot. Bonds1

About 1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one

1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one (PubChem CID 63709569) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one
PubChem CID63709569
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CCOc2ccccc21
InChIInChI=1S/C14H18O2/c1-14(2,3)13(15)11-8-9-16-12-7-5-4-6-10(11)12/h4-7,11H,8-9H2,1-3H3
InChIKeyZERIJVPVQLRVTQ-UHFFFAOYSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethylpentan-1-one
CID 65409112
N-(3,3-dimethyl-2-oxobutyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 64992086
2-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 63709217
3,4-dihydro-2H-chromen-4-yl-(2-methyloxolan-3-yl)methanone
CID 79759884
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 114631288
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 79663387
3,4-dihydro-2H-chromene-4-carbonyl isothiocyanate
CID 63708672
N-amino-N'-tert-butyl-3,4-dihydro-2H-chromene-4-carboximidamide
CID 55225504
3,4-dihydro-2H-chromen-4-yl-(5-methylthiophen-3-yl)methanone
CID 65407582
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-one
CID 55227243
(3S)-3-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]butanoic acid
CID 97211252
N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 83030362

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one (CID 63709569) is 1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one?
The InChIKey is ZERIJVPVQLRVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-14(2,3)13(15)11-8-9-16-12-7-5-4-6-10(11)12/h4-7,11H,8-9H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one?
1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one has a molecular weight of 218.30 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 63709569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).