1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione

C19H18O2 — CID 90371119

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
SMILESO=C(CCC(=O)c1ccc2c(c1)CCC2)c1ccccc1
InChIInChI=1S/C19H18O2/c20-18(15-5-2-1-3-6-15)11-12-19(21)17-10-9-14-7-4-8-16(14)13-17/h1-3,5-6,9-10,13H,4,7-8,11-12H2
InChIKeyBPMDOLLGXOOEBT-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.02
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione

1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione (PubChem CID 90371119) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
PubChem CID90371119
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
SMILESO=C(CCC(=O)c1ccc2c(c1)CCC2)c1ccccc1
InChIInChI=1S/C19H18O2/c20-18(15-5-2-1-3-6-15)11-12-19(21)17-10-9-14-7-4-8-16(14)13-17/h1-3,5-6,9-10,13H,4,7-8,11-12H2
InChIKeyBPMDOLLGXOOEBT-UHFFFAOYSA-N
XLogP4.02
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aziridin-1-yl)-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione
CID 82117888
3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-phenylpropan-1-one
CID 116694915
2-[2-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]phenyl]acetic acid
CID 119353174
N,N-dimethyl-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 82121263
N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 94282659
1-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]cyclopropane-1-carboxylic acid
CID 120688386
4-amino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
CID 82341441
N-(2-benzylsulfanylethyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 31334457
2-phenylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82050707
2,3-dihydro-1H-inden-5-yl(naphthalen-2-yl)methanone
CID 43338934
1-[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
CID 23337618
(2S)-2-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]-3-methylbutanoic acid
CID 119360111

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione (CID 90371119) is 1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione is O=C(CCC(=O)c1ccc2c(c1)CCC2)c1ccccc1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione?
The InChIKey is BPMDOLLGXOOEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c20-18(15-5-2-1-3-6-15)11-12-19(21)17-10-9-14-7-4-8-16(14)13-17/h1-3,5-6,9-10,13H,4,7-8,11-12H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione?
1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione has a molecular weight of 278.35 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione is sourced from PubChem (CID 90371119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).