2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,4-dimethylphenyl)ethanone

C19H20O2 — CID 115798919

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)CC2CCOc3ccccc32)c(C)c1
InChIInChI=1S/C19H20O2/c1-13-7-8-16(14(2)11-13)18(20)12-15-9-10-21-19-6-4-3-5-17(15)19/h3-8,11,15H,9-10,12H2,1-2H3
InChIKeySUVXZOWTCDHXEN-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.44
Rot. Bonds3

About 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,4-dimethylphenyl)ethanone

2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,4-dimethylphenyl)ethanone (PubChem CID 115798919) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,4-dimethylphenyl)ethanone
PubChem CID115798919
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)CC2CCOc3ccccc32)c(C)c1
InChIInChI=1S/C19H20O2/c1-13-7-8-16(14(2)11-13)18(20)12-15-9-10-21-19-6-4-3-5-17(15)19/h3-8,11,15H,9-10,12H2,1-2H3
InChIKeySUVXZOWTCDHXEN-UHFFFAOYSA-N
XLogP4.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,4-dimethylphenyl)ethanone?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,4-dimethylphenyl)ethanone (CID 115798919) is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,4-dimethylphenyl)ethanone is Cc1ccc(C(=O)CC2CCOc3ccccc32)c(C)c1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,4-dimethylphenyl)ethanone?
The InChIKey is SUVXZOWTCDHXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-13-7-8-16(14(2)11-13)18(20)12-15-9-10-21-19-6-4-3-5-17(15)19/h3-8,11,15H,9-10,12H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,4-dimethylphenyl)ethanone?
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,4-dimethylphenyl)ethanone has a molecular weight of 280.37 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,4-dimethylphenyl)ethanone is sourced from PubChem (CID 115798919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).