2-butylfluoren-1-one

C17H16O — CID 154133123

IUPAC2-butylfluoren-1-one
SMILESCCCCC1=CC=C2C(=Cc3ccccc32)C1=O
InChIInChI=1S/C17H16O/c1-2-3-6-12-9-10-15-14-8-5-4-7-13(14)11-16(15)17(12)18/h4-5,7-11H,2-3,6H2,1H3
InChIKeyWJDMQOWPKRWUQE-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.17
Rot. Bonds3

About 2-butylfluoren-1-one

2-butylfluoren-1-one (PubChem CID 154133123) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-butylfluoren-1-one.

Molecular Properties

Compound Name2-butylfluoren-1-one
PubChem CID154133123
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name2-butylfluoren-1-one
SMILESCCCCC1=CC=C2C(=Cc3ccccc32)C1=O
InChIInChI=1S/C17H16O/c1-2-3-6-12-9-10-15-14-8-5-4-7-13(14)11-16(15)17(12)18/h4-5,7-11H,2-3,6H2,1H3
InChIKeyWJDMQOWPKRWUQE-UHFFFAOYSA-N
XLogP4.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butylfluoren-1-one?
The IUPAC name of 2-butylfluoren-1-one (CID 154133123) is 2-butylfluoren-1-one.
What is the SMILES notation for 2-butylfluoren-1-one?
The canonical SMILES for 2-butylfluoren-1-one is CCCCC1=CC=C2C(=Cc3ccccc32)C1=O.
What is the InChIKey of 2-butylfluoren-1-one?
The InChIKey is WJDMQOWPKRWUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-2-3-6-12-9-10-15-14-8-5-4-7-13(14)11-16(15)17(12)18/h4-5,7-11H,2-3,6H2,1H3.
What are the key properties of 2-butylfluoren-1-one?
2-butylfluoren-1-one has a molecular weight of 236.31 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylfluoren-1-one is sourced from PubChem (CID 154133123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).