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

C12H14O2 — CID 14203080

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
SMILESCC(=O)CC1CCOc2ccccc21
InChIInChI=1S/C12H14O2/c1-9(13)8-10-6-7-14-12-5-3-2-4-11(10)12/h2-5,10H,6-8H2,1H3
InChIKeyPKRDXJWJSDVGGN-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.53
Rot. Bonds2

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

1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one (PubChem CID 14203080) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
PubChem CID14203080
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
SMILESCC(=O)CC1CCOc2ccccc21
InChIInChI=1S/C12H14O2/c1-9(13)8-10-6-7-14-12-5-3-2-4-11(10)12/h2-5,10H,6-8H2,1H3
InChIKeyPKRDXJWJSDVGGN-UHFFFAOYSA-N
XLogP2.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one
CID 104769876
1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
CID 104769754
2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
CID 104769745
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
CID 104769879
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
1-(3,4-dihydro-2H-chromen-4-yl)-3-hydroxyhexan-2-one
CID 103454025
2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyloxolan-2-yl)ethanone
CID 115798747
1-(3,4-dihydro-2H-chromen-4-yl)nonan-2-one
CID 115798863
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
1-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 115798791

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one (CID 14203080) is 1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one is CC(=O)CC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one?
The InChIKey is PKRDXJWJSDVGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-9(13)8-10-6-7-14-12-5-3-2-4-11(10)12/h2-5,10H,6-8H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one?
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one has a molecular weight of 190.24 g/mol, XLogP of 2.53, 2 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)propan-2-one is sourced from PubChem (CID 14203080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).