1-butylfluoren-9-one

C17H16O — CID 14598470

IUPAC1-butylfluoren-9-one
SMILESCCCCc1cccc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C17H16O/c1-2-3-7-12-8-6-11-14-13-9-4-5-10-15(13)17(18)16(12)14/h4-6,8-11H,2-3,7H2,1H3
InChIKeyYEWJGRSLUHROMA-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.24
Rot. Bonds3

About 1-butylfluoren-9-one

1-butylfluoren-9-one (PubChem CID 14598470) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-butylfluoren-9-one.

Molecular Properties

Compound Name1-butylfluoren-9-one
PubChem CID14598470
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name1-butylfluoren-9-one
SMILESCCCCc1cccc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C17H16O/c1-2-3-7-12-8-6-11-14-13-9-4-5-10-15(13)17(18)16(12)14/h4-6,8-11H,2-3,7H2,1H3
InChIKeyYEWJGRSLUHROMA-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-decylanthracene-9,10-dione
CID 139845419
1-dodecylanthracene-9,10-dione
CID 67664417
2-(9-oxofluoren-1-yl)acetic acid
CID 12692062
1,3-dibutyl-2-phenylbenzene
CID 15421912
2,3-dibutylinden-1-one
CID 10657817
2-pentyl-1-sulfanylanthracene-9,10-dione
CID 70467498
CID 159940559
CID 159940559
1-hexyl-2,3-diphenylbenzene
CID 54065322
2-(2-dodecylphenyl)-3-nonylphenol
CID 174697962
1-(2-butylphenyl)sulfanyl-8-(4-tritiophenyl)sulfanylanthracene-9,10-dione
CID 88654064
2-butyl-3-sulfanylnaphthalene-1,4-dione
CID 175119987
1,4-dibenzylanthracene-9,10-dione;1,5-dibenzylanthracene-9,10-dione
CID 159427852

Frequently Asked Questions

What is the IUPAC name of 1-butylfluoren-9-one?
The IUPAC name of 1-butylfluoren-9-one (CID 14598470) is 1-butylfluoren-9-one.
What is the SMILES notation for 1-butylfluoren-9-one?
The canonical SMILES for 1-butylfluoren-9-one is CCCCc1cccc2c1C(=O)c1ccccc1-2.
What is the InChIKey of 1-butylfluoren-9-one?
The InChIKey is YEWJGRSLUHROMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-2-3-7-12-8-6-11-14-13-9-4-5-10-15(13)17(18)16(12)14/h4-6,8-11H,2-3,7H2,1H3.
What are the key properties of 1-butylfluoren-9-one?
1-butylfluoren-9-one has a molecular weight of 236.31 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylfluoren-9-one is sourced from PubChem (CID 14598470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).