1-(9-ethoxy-1-methylfluoren-9-yl)butan-1-one

C20H22O2 — CID 160541929

IUPAC1-(9-ethoxy-1-methylfluoren-9-yl)butan-1-one
SMILESCCCC(=O)C1(OCC)c2ccccc2-c2cccc(C)c21
InChIInChI=1S/C20H22O2/c1-4-9-18(21)20(22-5-2)17-13-7-6-11-15(17)16-12-8-10-14(3)19(16)20/h6-8,10-13H,4-5,9H2,1-3H3
InChIKeyQWWZOIBGADHUKP-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.62
Rot. Bonds5

About 1-(9-ethoxy-1-methylfluoren-9-yl)butan-1-one

1-(9-ethoxy-1-methylfluoren-9-yl)butan-1-one (PubChem CID 160541929) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-(9-ethoxy-1-methylfluoren-9-yl)butan-1-one.

Molecular Properties

Compound Name1-(9-ethoxy-1-methylfluoren-9-yl)butan-1-one
PubChem CID160541929
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name1-(9-ethoxy-1-methylfluoren-9-yl)butan-1-one
SMILESCCCC(=O)C1(OCC)c2ccccc2-c2cccc(C)c21
InChIInChI=1S/C20H22O2/c1-4-9-18(21)20(22-5-2)17-13-7-6-11-15(17)16-12-8-10-14(3)19(16)20/h6-8,10-13H,4-5,9H2,1-3H3
InChIKeyQWWZOIBGADHUKP-UHFFFAOYSA-N
XLogP4.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 174651473
1-(9-butoxy-1-methylfluoren-9-yl)ethanone
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1-(9-propylfluoren-9-yl)butan-1-one
CID 18409407
ethyl 9-hydroxyfluorene-9-carboxylate
CID 139070715
1,9-dimethylfluorene-9-carbaldehyde
CID 173198715
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CID 22307876
1-(9,9-dipropylfluoren-1-yl)-2-(2-methylphenyl)ethanone
CID 129094192
1-[9-(ethoxymethyl)fluoren-9-yl]nonan-1-one
CID 67498552
1-[9-(methoxymethyl)fluoren-9-yl]pentan-1-one
CID 67497909
ethyl 2-methyl-6-phenylbenzoate
CID 86249615
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238

Frequently Asked Questions

What is the IUPAC name of 1-(9-ethoxy-1-methylfluoren-9-yl)butan-1-one?
The IUPAC name of 1-(9-ethoxy-1-methylfluoren-9-yl)butan-1-one (CID 160541929) is 1-(9-ethoxy-1-methylfluoren-9-yl)butan-1-one.
What is the SMILES notation for 1-(9-ethoxy-1-methylfluoren-9-yl)butan-1-one?
The canonical SMILES for 1-(9-ethoxy-1-methylfluoren-9-yl)butan-1-one is CCCC(=O)C1(OCC)c2ccccc2-c2cccc(C)c21.
What is the InChIKey of 1-(9-ethoxy-1-methylfluoren-9-yl)butan-1-one?
The InChIKey is QWWZOIBGADHUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-4-9-18(21)20(22-5-2)17-13-7-6-11-15(17)16-12-8-10-14(3)19(16)20/h6-8,10-13H,4-5,9H2,1-3H3.
What are the key properties of 1-(9-ethoxy-1-methylfluoren-9-yl)butan-1-one?
1-(9-ethoxy-1-methylfluoren-9-yl)butan-1-one has a molecular weight of 294.39 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-ethoxy-1-methylfluoren-9-yl)butan-1-one is sourced from PubChem (CID 160541929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).