1-dibenzofuran-2-yl-2-methylpropan-1-one;ethane

C18H20O2 — CID 170789790

IUPAC1-dibenzofuran-2-yl-2-methylpropan-1-one;ethane
SMILESCC.CC(C)C(=O)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C16H14O2.C2H6/c1-10(2)16(17)11-7-8-15-13(9-11)12-5-3-4-6-14(12)18-15;1-2/h3-10H,1-2H3;1-2H3
InChIKeyONFDRDILFRXYRQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP5.45
Rot. Bonds2

About 1-dibenzofuran-2-yl-2-methylpropan-1-one;ethane

1-dibenzofuran-2-yl-2-methylpropan-1-one;ethane (PubChem CID 170789790) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-dibenzofuran-2-yl-2-methylpropan-1-one;ethane.

Molecular Properties

Compound Name1-dibenzofuran-2-yl-2-methylpropan-1-one;ethane
PubChem CID170789790
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-dibenzofuran-2-yl-2-methylpropan-1-one;ethane
SMILESCC.CC(C)C(=O)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C16H14O2.C2H6/c1-10(2)16(17)11-7-8-15-13(9-11)12-5-3-4-6-14(12)18-15;1-2/h3-10H,1-2H3;1-2H3
InChIKeyONFDRDILFRXYRQ-UHFFFAOYSA-N
XLogP5.45
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.36
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-dibenzofuran-2-yl-3-methylbutan-1-one
CID 43160223
[4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone
CID 71375763
2-prop-1-en-2-yldibenzofuran
CID 142504770
1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone
CID 170226916
methyl dibenzofuran-2-carboxylate
CID 3702628
1-dibenzofuran-2-yl-2-phenylethanone
CID 15691957
N-propyldibenzofuran-2-carboxamide
CID 19048225
dibenzofuran-2-yl-(5-methylfuran-3-yl)methanone
CID 114819411
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
(2R)-2-dibenzofuran-2-yloxy-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 42554771
(1S)-1-dibenzofuran-2-ylethanol
CID 82758937
1-(9-sulfanylidenexanthen-2-yl)ethanone
CID 88754830

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-2-yl-2-methylpropan-1-one;ethane?
The IUPAC name of 1-dibenzofuran-2-yl-2-methylpropan-1-one;ethane (CID 170789790) is 1-dibenzofuran-2-yl-2-methylpropan-1-one;ethane.
What is the SMILES notation for 1-dibenzofuran-2-yl-2-methylpropan-1-one;ethane?
The canonical SMILES for 1-dibenzofuran-2-yl-2-methylpropan-1-one;ethane is CC.CC(C)C(=O)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 1-dibenzofuran-2-yl-2-methylpropan-1-one;ethane?
The InChIKey is ONFDRDILFRXYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2.C2H6/c1-10(2)16(17)11-7-8-15-13(9-11)12-5-3-4-6-14(12)18-15;1-2/h3-10H,1-2H3;1-2H3.
What are the key properties of 1-dibenzofuran-2-yl-2-methylpropan-1-one;ethane?
1-dibenzofuran-2-yl-2-methylpropan-1-one;ethane has a molecular weight of 268.36 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-2-yl-2-methylpropan-1-one;ethane is sourced from PubChem (CID 170789790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).