1-(3,4-dihydro-2H-chromen-6-yl)-2-(2,5-dimethylphenyl)ethanone

C19H20O2 — CID 63492348

IUPAC1-(3,4-dihydro-2H-chromen-6-yl)-2-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)c2ccc3c(c2)CCCO3)c1
InChIInChI=1S/C19H20O2/c1-13-5-6-14(2)17(10-13)12-18(20)15-7-8-19-16(11-15)4-3-9-21-19/h5-8,10-11H,3-4,9,12H2,1-2H3
InChIKeyPLIKMIXQJVUWBY-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.05
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-6-yl)-2-(2,5-dimethylphenyl)ethanone

1-(3,4-dihydro-2H-chromen-6-yl)-2-(2,5-dimethylphenyl)ethanone (PubChem CID 63492348) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)-2-(2,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-yl)-2-(2,5-dimethylphenyl)ethanone
PubChem CID63492348
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name1-(3,4-dihydro-2H-chromen-6-yl)-2-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)c2ccc3c(c2)CCCO3)c1
InChIInChI=1S/C19H20O2/c1-13-5-6-14(2)17(10-13)12-18(20)15-7-8-19-16(11-15)4-3-9-21-19/h5-8,10-11H,3-4,9,12H2,1-2H3
InChIKeyPLIKMIXQJVUWBY-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methylphenyl)ethanone
CID 61026711
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dimethylphenyl)ethanone
CID 62538671
1-(2,3-dihydro-1H-inden-5-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63491461
1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-methoxyphenyl)ethanone
CID 61027750
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 10352535
1-(3,4-dihydro-2H-chromen-6-yl)-3-(methylamino)propan-1-one
CID 82493834
1-(3,4-dihydro-2H-chromen-6-yl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
CID 116826329
2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 61027612
2-chloro-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanone
CID 82242395
1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione
CID 90355177
3,4-dihydro-2H-chromen-6-yl-(3-methylphenyl)methanone
CID 54908650
1-(3,4-dihydro-2H-chromen-6-yl)pentan-1-one
CID 61027347

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-2-(2,5-dimethylphenyl)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-2-(2,5-dimethylphenyl)ethanone (CID 63492348) is 1-(3,4-dihydro-2H-chromen-6-yl)-2-(2,5-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)-2-(2,5-dimethylphenyl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)-2-(2,5-dimethylphenyl)ethanone is Cc1ccc(C)c(CC(=O)c2ccc3c(c2)CCCO3)c1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)-2-(2,5-dimethylphenyl)ethanone?
The InChIKey is PLIKMIXQJVUWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-13-5-6-14(2)17(10-13)12-18(20)15-7-8-19-16(11-15)4-3-9-21-19/h5-8,10-11H,3-4,9,12H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)-2-(2,5-dimethylphenyl)ethanone?
1-(3,4-dihydro-2H-chromen-6-yl)-2-(2,5-dimethylphenyl)ethanone has a molecular weight of 280.37 g/mol, XLogP of 4.05, 3 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-6-yl)-2-(2,5-dimethylphenyl)ethanone is sourced from PubChem (CID 63492348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).