1-(9-propylfluoren-9-yl)butan-1-one

C20H22O — CID 18409407

IUPAC1-(9-propylfluoren-9-yl)butan-1-one
SMILESCCCC(=O)C1(CCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C20H22O/c1-3-9-19(21)20(14-4-2)17-12-7-5-10-15(17)16-11-6-8-13-18(16)20/h5-8,10-13H,3-4,9,14H2,1-2H3
InChIKeyCDHQURAKOSGJRC-UHFFFAOYSA-N
MW278.40 g/mol
LogP5.12
Rot. Bonds5

About 1-(9-propylfluoren-9-yl)butan-1-one

1-(9-propylfluoren-9-yl)butan-1-one (PubChem CID 18409407) has the molecular formula C20H22O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(9-propylfluoren-9-yl)butan-1-one.

Molecular Properties

Compound Name1-(9-propylfluoren-9-yl)butan-1-one
PubChem CID18409407
Molecular FormulaC20H22O
Molecular Weight278.40 g/mol
Exact Mass278.17
IUPAC Name1-(9-propylfluoren-9-yl)butan-1-one
SMILESCCCC(=O)C1(CCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C20H22O/c1-3-9-19(21)20(14-4-2)17-12-7-5-10-15(17)16-11-6-8-13-18(16)20/h5-8,10-13H,3-4,9,14H2,1-2H3
InChIKeyCDHQURAKOSGJRC-UHFFFAOYSA-N
XLogP5.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(9-propylfluoren-9-yl)butan-1-one?
The IUPAC name of 1-(9-propylfluoren-9-yl)butan-1-one (CID 18409407) is 1-(9-propylfluoren-9-yl)butan-1-one.
What is the SMILES notation for 1-(9-propylfluoren-9-yl)butan-1-one?
The canonical SMILES for 1-(9-propylfluoren-9-yl)butan-1-one is CCCC(=O)C1(CCC)c2ccccc2-c2ccccc21.
What is the InChIKey of 1-(9-propylfluoren-9-yl)butan-1-one?
The InChIKey is CDHQURAKOSGJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O/c1-3-9-19(21)20(14-4-2)17-12-7-5-10-15(17)16-11-6-8-13-18(16)20/h5-8,10-13H,3-4,9,14H2,1-2H3.
What are the key properties of 1-(9-propylfluoren-9-yl)butan-1-one?
1-(9-propylfluoren-9-yl)butan-1-one has a molecular weight of 278.40 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-propylfluoren-9-yl)butan-1-one is sourced from PubChem (CID 18409407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).